| ## |
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 |
141 |
41 |
13918 |
◊ |
I |
x,y,z |
1_555 |
144 |
41 |
13944 |
1355.8 |
-14.7 |
0.116 |
8 |
1 |
0 |
0.353 |
| 2 |
2 |
|
F |
139 |
38 |
13908 |
◊ |
D |
x,y,z |
1_555 |
140 |
39 |
13942 |
1328.2 |
-14.0 |
0.141 |
8 |
4 |
0 |
0.351 |
3 |
|
H |
143 |
42 |
13967 |
◊ |
B |
x,y,z |
1_555 |
142 |
38 |
13944 |
1306.6 |
-11.7 |
0.241 |
7 |
1 |
0 |
0.351 |
4 |
|
E |
132 |
39 |
14131 |
◊ |
C |
x,y,z |
1_555 |
137 |
40 |
13902 |
1295.8 |
-13.1 |
0.141 |
8 |
0 |
0 |
0.351 |
5 |
|
G |
137 |
39 |
13916 |
◊ |
A |
x,y,z |
1_555 |
137 |
40 |
13848 |
1269.1 |
-12.7 |
0.176 |
9 |
3 |
0 |
0.351 |
| Average: |
1299.9 |
-12.9 |
0.175 |
8 |
2 |
0 |
0.351 |
| 3 |
6 |
|
E |
95 |
25 |
14131 |
◊ |
D |
x,y,z |
1_555 |
86 |
26 |
13942 |
853.1 |
-11.9 |
0.072 |
8 |
7 |
0 |
0.304 |
7 |
|
H |
91 |
25 |
13967 |
◊ |
A |
x,y,z |
1_555 |
90 |
27 |
13848 |
839.2 |
-13.2 |
0.062 |
7 |
6 |
0 |
0.304 |
8 |
|
K |
87 |
26 |
13918 |
◊ |
K |
-x,y,-z+1 |
2_556 |
87 |
26 |
13918 |
833.2 |
-11.0 |
0.083 |
10 |
8 |
0 |
0.304 |
9 |
|
G |
93 |
28 |
13916 |
◊ |
B |
x,y,z |
1_555 |
89 |
25 |
13944 |
831.1 |
-11.5 |
0.091 |
7 |
6 |
0 |
0.304 |
10 |
|
F |
86 |
27 |
13908 |
◊ |
C |
x,y,z |
1_555 |
86 |
27 |
13902 |
823.1 |
-12.5 |
0.060 |
7 |
6 |
0 |
0.304 |
11 |
|
I |
85 |
25 |
13944 |
◊ |
I |
-x,y,-z+1 |
2_556 |
85 |
25 |
13944 |
807.2 |
-13.8 |
0.036 |
9 |
8 |
0 |
0.304 |
| Average: |
831.1 |
-12.3 |
0.067 |
8 |
7 |
0 |
0.304 |
| 4 |
12 |
|
F |
84 |
26 |
13908 |
◊ |
E |
x,y,z |
1_555 |
88 |
24 |
14131 |
813.1 |
-6.0 |
0.275 |
7 |
2 |
0 |
0.107 |
13 |
|
K |
83 |
27 |
13918 |
◊ |
I |
-x,y,-z+1 |
2_556 |
85 |
26 |
13944 |
785.9 |
-7.0 |
0.244 |
5 |
3 |
0 |
0.107 |
14 |
|
H |
82 |
27 |
13967 |
◊ |
G |
x,y,z |
1_555 |
80 |
26 |
13916 |
739.0 |
-6.4 |
0.285 |
5 |
3 |
0 |
0.107 |
| Average: |
779.3 |
-6.4 |
0.268 |
6 |
3 |
0 |
0.107 |
| 5 |
15 |
|
B |
84 |
27 |
13944 |
◊ |
A |
x,y,z |
1_555 |
81 |
27 |
13848 |
718.9 |
-8.3 |
0.175 |
6 |
2 |
0 |
0.068 |
16 |
|
D |
74 |
26 |
13942 |
◊ |
C |
x,y,z |
1_555 |
72 |
24 |
13902 |
684.7 |
-9.5 |
0.098 |
5 |
3 |
0 |
0.068 |
| Average: |
701.8 |
-8.9 |
0.136 |
6 |
3 |
0 |
0.068 |
| 6 |
17 |
|
C |
80 |
22 |
13902 |
◊ |
I |
x-1/2,y-1/2,z |
3_445 |
67 |
17 |
13944 |
674.2 |
3.8 |
0.862 |
9 |
6 |
0 |
0.000 |
| 7 |
18 |
|
B |
48 |
11 |
13944 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
15 |
13848 |
526.4 |
-4.0 |
0.363 |
8 |
0 |
0 |
0.006 |
| 8 |
19 |
|
K |
44 |
11 |
13918 |
◊ |
D |
-x,y,-z+1 |
2_556 |
41 |
11 |
13942 |
375.9 |
-0.7 |
0.615 |
3 |
1 |
0 |
0.000 |
20 |
|
H |
35 |
9 |
13967 |
◊ |
E |
x,y,z |
1_555 |
30 |
6 |
14131 |
274.5 |
-1.7 |
0.493 |
0 |
0 |
0 |
0.000 |
| Average: |
325.2 |
-1.2 |
0.554 |
2 |
1 |
0 |
0.000 |
| 9 |
21 |
|
A |
27 |
10 |
13848 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
25 |
8 |
14131 |
285.4 |
0.4 |
0.514 |
3 |
2 |
0 |
0.000 |
| 10 |
22 |
|
E |
23 |
7 |
14131 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
26 |
8 |
13942 |
255.9 |
0.9 |
0.740 |
1 |
2 |
0 |
0.000 |
| 11 |
23 |
|
B |
27 |
8 |
13944 |
◊ |
A |
-x-1,y,-z |
2_455 |
31 |
7 |
13848 |
247.6 |
-1.4 |
0.486 |
0 |
0 |
0 |
0.000 |
| 12 |
24 |
|
G |
25 |
9 |
13916 |
◊ |
F |
x,y,z |
1_555 |
32 |
8 |
13908 |
236.8 |
-1.2 |
0.530 |
1 |
2 |
0 |
0.000 |
| 13 |
25 |
|
A |
28 |
9 |
13848 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
20 |
7 |
13916 |
232.5 |
2.1 |
0.818 |
3 |
0 |
0 |
0.000 |
| 14 |
26 |
|
I |
27 |
8 |
13944 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
13902 |
229.6 |
-1.5 |
0.500 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
F |
19 |
7 |
13908 |
◊ |
K |
x-1/2,y+1/2,z |
3_455 |
16 |
5 |
13918 |
139.8 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
H |
16 |
5 |
13967 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
12 |
4 |
14131 |
133.3 |
1.9 |
0.682 |
3 |
0 |
0 |
0.000 |
| 17 |
29 |
|
H |
9 |
3 |
13967 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
12 |
5 |
13942 |
106.0 |
0.9 |
0.788 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[SO4]H:301 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
22 |
8 |
13967 |
105.4 |
-16.9 |
0.731 |
2 |
0 |
0 |
0.297 |
| 19 |
31 |
|
[SO4]C:301 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
13902 |
104.2 |
-15.3 |
0.750 |
2 |
0 |
0 |
0.325 |
| 20 |
32 |
|
[SO4]G:301 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
20 |
7 |
13916 |
104.1 |
-16.7 |
0.712 |
3 |
0 |
0 |
0.299 |
| 21 |
33 |
|
[SO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13848 |
103.9 |
-16.1 |
0.734 |
1 |
0 |
0 |
0.274 |
| 22 |
34 |
|
[SO4]K:301 |
5 |
1 |
189 |
f |
K |
x,y,z |
1_555 |
20 |
7 |
13918 |
102.8 |
-16.2 |
0.679 |
2 |
0 |
0 |
0.551 |
| 23 |
35 |
|
D |
15 |
3 |
13942 |
◊ |
K |
x-1/2,y+1/2,z |
3_455 |
10 |
4 |
13918 |
102.6 |
-1.3 |
0.265 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[SO4]I:301 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
20 |
8 |
13944 |
102.5 |
-16.2 |
0.751 |
1 |
0 |
0 |
0.534 |
| 25 |
37 |
|
[SO4]E:302 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
21 |
7 |
14131 |
102.4 |
-16.5 |
0.697 |
1 |
0 |
0 |
0.339 |
| 26 |
38 |
|
[SO4]F:301 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
13908 |
102.3 |
-16.5 |
0.719 |
2 |
0 |
0 |
0.337 |
| 27 |
39 |
|
[SO4]E:301 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
13942 |
102.1 |
-14.8 |
0.750 |
3 |
0 |
0 |
0.312 |
| 28 |
40 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
13944 |
100.8 |
-15.9 |
0.671 |
1 |
0 |
0 |
0.273 |
| 29 |
41 |
|
K |
10 |
4 |
13918 |
◊ |
I |
x,y-1,z |
1_545 |
10 |
4 |
13944 |
94.4 |
0.1 |
0.653 |
2 |
0 |
0 |
0.000 |
| 30 |
42 |
|
G |
12 |
4 |
13916 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
11 |
3 |
13848 |
79.1 |
-0.8 |
0.482 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13944 |
71.7 |
-9.9 |
0.843 |
2 |
0 |
0 |
0.181 |
| 32 |
44 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13848 |
64.1 |
-7.8 |
0.913 |
2 |
0 |
0 |
0.143 |
| 33 |
45 |
|
[SO4]E:301 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
14131 |
53.6 |
-6.5 |
0.866 |
2 |
0 |
0 |
0.119 |
| 34 |
46 |
|
[SO4]C:301 |
3 |
1 |
190 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
13908 |
49.0 |
-6.3 |
0.839 |
2 |
0 |
0 |
0.116 |
| 35 |
47 |
|
[SO4]K:301 |
4 |
1 |
189 |
◊ |
K |
-x,y,-z+1 |
2_556 |
7 |
2 |
13918 |
44.1 |
-5.6 |
0.791 |
0 |
0 |
0 |
0.181 |
| 36 |
48 |
|
[SO4]B:301 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
13916 |
42.6 |
-5.2 |
0.886 |
1 |
0 |
0 |
0.079 |
49 |
|
[SO4]E:302 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13942 |
38.8 |
-4.3 |
0.894 |
1 |
0 |
0 |
0.079 |
| Average: |
40.7 |
-4.7 |
0.890 |
1 |
0 |
0 |
0.079 |
| 37 |
50 |
|
[SO4]F:301 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
13902 |
38.6 |
-4.7 |
0.859 |
1 |
0 |
0 |
0.083 |
| 38 |
51 |
|
[SO4]A:301 |
4 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
13967 |
36.7 |
-4.6 |
0.822 |
0 |
0 |
0 |
0.066 |
| 39 |
52 |
|
[SO4]I:301 |
4 |
1 |
184 |
◊ |
I |
-x,y,-z+1 |
2_556 |
6 |
2 |
13944 |
36.0 |
-4.6 |
0.854 |
1 |
0 |
0 |
0.162 |
| 40 |
53 |
|
[SO4]G:301 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13944 |
34.6 |
-4.2 |
0.822 |
1 |
0 |
0 |
0.065 |
| 41 |
54 |
|
[SO4]H:301 |
2 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13848 |
30.6 |
-4.0 |
0.729 |
0 |
0 |
0 |
0.059 |
| 42 |
55 |
|
B |
2 |
2 |
13944 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
13916 |
15.0 |
0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
| 43 |
56 |
|
H |
3 |
2 |
13967 |
x |
H |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
13967 |
8.3 |
-0.2 |
0.504 |
0 |
0 |
0 |
0.000 |
| 44 |
57 |
|
F |
1 |
1 |
13908 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
13944 |
3.1 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
| 45 |
58 |
|
C |
1 |
1 |
13902 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
13942 |
0.6 |
0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
|