| ## |
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 |
|
E |
130 |
42 |
6824 |
◊ |
D |
x,y,z |
1_555 |
122 |
40 |
6149 |
1279.3 |
-21.1 |
0.069 |
7 |
0 |
0 |
0.338 |
2 |
|
C |
126 |
41 |
6245 |
◊ |
A |
x,y,z |
1_555 |
123 |
40 |
6413 |
1262.6 |
-18.3 |
0.165 |
11 |
0 |
0 |
0.338 |
3 |
|
G |
120 |
39 |
6323 |
◊ |
B |
y,x,-z+1 |
7_556 |
125 |
41 |
6350 |
1260.3 |
-18.7 |
0.137 |
10 |
0 |
0 |
0.338 |
| Average: |
1267.4 |
-19.4 |
0.124 |
9 |
0 |
0 |
0.338 |
| 2 |
4 |
|
F |
67 |
26 |
6456 |
◊ |
C |
x,y,z |
1_555 |
76 |
23 |
6245 |
649.8 |
-4.6 |
0.403 |
9 |
0 |
0 |
0.080 |
| 3 |
5 |
|
F |
41 |
14 |
6456 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
6350 |
387.3 |
-4.1 |
0.443 |
2 |
0 |
0 |
0.049 |
| 4 |
6 |
|
A |
32 |
11 |
6413 |
◊ |
G |
-y+3/2,x+1/2,z-1/4 |
3_654 |
35 |
12 |
6323 |
346.3 |
-4.6 |
0.359 |
2 |
0 |
0 |
0.036 |
7 |
|
B |
29 |
10 |
6350 |
◊ |
D |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
30 |
10 |
6149 |
335.6 |
-4.6 |
0.259 |
2 |
0 |
0 |
0.036 |
8 |
|
E |
31 |
10 |
6824 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
6245 |
314.7 |
-3.4 |
0.409 |
0 |
0 |
0 |
0.036 |
| Average: |
332.2 |
-4.2 |
0.342 |
1 |
0 |
0 |
0.036 |
| 5 |
9 |
|
G |
30 |
11 |
6323 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
6413 |
339.2 |
-2.7 |
0.595 |
2 |
0 |
0 |
0.019 |
| 6 |
10 |
|
G |
34 |
12 |
6323 |
◊ |
F |
x,y,z |
1_555 |
39 |
11 |
6456 |
286.0 |
-1.4 |
0.700 |
4 |
0 |
0 |
0.051 |
| 7 |
11 |
|
C |
30 |
10 |
6245 |
◊ |
B |
x,y,z |
1_555 |
32 |
13 |
6350 |
276.7 |
0.1 |
0.707 |
3 |
0 |
0 |
0.008 |
| 8 |
12 |
|
B |
28 |
11 |
6350 |
◊ |
A |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
32 |
10 |
6413 |
269.2 |
-0.4 |
0.523 |
0 |
0 |
0 |
0.029 |
13 |
|
E |
29 |
9 |
6824 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
6413 |
267.7 |
-2.4 |
0.545 |
1 |
0 |
0 |
0.029 |
14 |
|
B |
29 |
9 |
6350 |
◊ |
E |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
25 |
10 |
6824 |
224.2 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.029 |
15 |
|
D |
26 |
8 |
6149 |
◊ |
G |
-y+3/2,x+1/2,z-1/4 |
3_654 |
24 |
11 |
6323 |
195.2 |
0.3 |
0.743 |
1 |
0 |
0 |
0.029 |
| Average: |
239.1 |
-0.8 |
0.614 |
1 |
0 |
0 |
0.029 |
| 9 |
16 |
|
B |
24 |
9 |
6350 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
6413 |
208.6 |
-1.3 |
0.582 |
1 |
0 |
0 |
0.017 |
| 10 |
17 |
|
F |
16 |
4 |
6456 |
◊ |
F |
y,x,-z+1 |
7_556 |
16 |
4 |
6456 |
157.1 |
1.8 |
0.901 |
8 |
0 |
0 |
0.027 |
| 11 |
18 |
|
F |
18 |
7 |
6456 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
6413 |
155.0 |
-2.2 |
0.393 |
1 |
0 |
0 |
0.014 |
| 12 |
19 |
|
F |
11 |
6 |
6456 |
◊ |
B |
y,x,-z+1 |
7_556 |
16 |
6 |
6350 |
148.5 |
-1.1 |
0.476 |
1 |
1 |
0 |
0.010 |
| 13 |
20 |
|
D |
18 |
8 |
6149 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
6245 |
148.3 |
0.1 |
0.732 |
2 |
0 |
0 |
0.002 |
| 14 |
21 |
|
G |
16 |
5 |
6323 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
6245 |
142.8 |
-4.2 |
0.086 |
1 |
0 |
0 |
0.043 |
| 15 |
22 |
|
F |
13 |
5 |
6456 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
6824 |
133.1 |
-3.1 |
0.177 |
0 |
0 |
0 |
0.008 |
| 16 |
23 |
|
C |
15 |
6 |
6245 |
◊ |
G |
-y+3/2,x+1/2,z-1/4 |
3_654 |
13 |
6 |
6323 |
126.0 |
-1.0 |
0.527 |
1 |
0 |
0 |
0.005 |
| 17 |
24 |
|
[GOL]A:204 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
6413 |
107.5 |
-1.1 |
0.452 |
2 |
0 |
0 |
0.029 |
| 18 |
25 |
|
[SO4]E:202 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
6824 |
97.1 |
-13.0 |
0.834 |
2 |
0 |
0 |
0.163 |
| 19 |
26 |
|
[SO4]D:201 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
6149 |
96.6 |
-15.4 |
0.691 |
4 |
0 |
0 |
0.202 |
| 20 |
27 |
|
[GOL]B:206 |
6 |
1 |
218 |
◊ |
G |
y,x,-z+1 |
7_556 |
16 |
9 |
6323 |
94.5 |
-0.9 |
0.492 |
1 |
0 |
0 |
0.010 |
| 21 |
28 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
6323 |
92.5 |
-14.0 |
0.621 |
3 |
0 |
0 |
0.248 |
| 22 |
29 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6350 |
90.0 |
-13.7 |
0.736 |
7 |
0 |
0 |
0.164 |
| 23 |
30 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
6245 |
90.0 |
-14.1 |
0.751 |
6 |
0 |
0 |
0.244 |
| 24 |
31 |
|
[SO4]G:203 |
5 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
16 |
10 |
6323 |
88.5 |
-12.2 |
0.852 |
2 |
0 |
0 |
0.211 |
| 25 |
32 |
|
[GOL]A:203 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6413 |
87.1 |
-0.8 |
0.509 |
1 |
0 |
0 |
0.017 |
| 26 |
33 |
|
[GOL]B:206 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
6350 |
85.4 |
-0.1 |
0.634 |
3 |
0 |
0 |
0.014 |
| 27 |
34 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
6350 |
85.0 |
-11.5 |
0.869 |
3 |
0 |
0 |
0.126 |
| 28 |
35 |
|
[SO4]E:201 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
6824 |
84.7 |
-12.8 |
0.721 |
4 |
0 |
0 |
0.171 |
| 29 |
36 |
|
[SO4]A:201 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
6413 |
83.7 |
-12.9 |
0.743 |
5 |
0 |
0 |
0.220 |
| 30 |
37 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6350 |
77.5 |
-11.2 |
0.832 |
3 |
0 |
0 |
0.122 |
| 31 |
38 |
|
[SO4]B:205 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6350 |
77.3 |
-10.9 |
0.794 |
3 |
0 |
0 |
0.119 |
| 32 |
39 |
|
[SO4]F:201 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
6456 |
75.4 |
-10.5 |
0.855 |
3 |
0 |
0 |
0.352 |
| 33 |
40 |
|
[GOL]A:204 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
6245 |
73.8 |
0.2 |
0.618 |
3 |
0 |
0 |
0.017 |
| 34 |
41 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6350 |
72.5 |
-8.3 |
0.976 |
1 |
0 |
0 |
0.085 |
| 35 |
42 |
|
[SO4]A:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
8 |
6413 |
70.3 |
-9.4 |
0.846 |
2 |
0 |
0 |
0.098 |
| 36 |
43 |
|
A |
8 |
3 |
6413 |
◊ |
E |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
9 |
5 |
6824 |
69.4 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
6149 |
67.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.102 |
| 38 |
45 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
6245 |
65.8 |
-8.3 |
0.717 |
2 |
0 |
0 |
0.134 |
| 39 |
46 |
|
[SO4]B:205 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
6456 |
62.6 |
-8.5 |
0.679 |
2 |
0 |
0 |
0.092 |
| 40 |
47 |
|
[SO4]G:203 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
9 |
6 |
6456 |
62.5 |
-8.2 |
0.768 |
4 |
0 |
0 |
0.162 |
| 41 |
48 |
|
[SO4]F:202 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
6456 |
60.8 |
-6.8 |
0.939 |
1 |
0 |
0 |
0.216 |
| 42 |
49 |
|
[SO4]F:202 |
5 |
1 |
186 |
◊ |
F |
y,x,-z+1 |
7_556 |
8 |
4 |
6456 |
57.9 |
-6.5 |
0.931 |
2 |
0 |
0 |
0.220 |
| 43 |
50 |
|
[SO4]G:202 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
6323 |
56.4 |
-7.7 |
0.764 |
2 |
0 |
0 |
0.138 |
| 44 |
51 |
|
B |
11 |
4 |
6350 |
◊ |
[SO4]E:201 |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
4 |
1 |
185 |
55.9 |
-7.5 |
0.846 |
1 |
0 |
0 |
0.054 |
| 45 |
52 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6245 |
55.2 |
-7.1 |
0.770 |
1 |
0 |
0 |
0.052 |
| 46 |
53 |
|
[SO4]F:202 |
4 |
1 |
186 |
f |
[SO4]F:202 |
y,x,-z+1 |
7_556 |
4 |
1 |
186 |
54.9 |
-12.4 |
0.973 |
0 |
0 |
0 |
0.185 |
| 47 |
54 |
|
[SO4]B:201 |
4 |
1 |
185 |
◊ |
A |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
10 |
5 |
6413 |
53.8 |
-7.1 |
0.879 |
3 |
0 |
0 |
0.057 |
| 48 |
55 |
|
[SO4]C:202 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
6323 |
53.6 |
-6.5 |
0.894 |
1 |
0 |
0 |
0.064 |
| 49 |
56 |
|
[SO4]A:201 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
6824 |
53.2 |
-7.0 |
0.852 |
1 |
0 |
0 |
0.051 |
| 50 |
57 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6350 |
52.5 |
-6.6 |
0.777 |
2 |
0 |
0 |
0.073 |
| 51 |
58 |
|
D |
9 |
5 |
6149 |
◊ |
[SO4]G:201 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
5 |
1 |
185 |
51.0 |
-6.5 |
0.862 |
2 |
0 |
0 |
0.025 |
| 52 |
59 |
|
[SO4]E:202 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
6149 |
50.2 |
-6.6 |
0.682 |
0 |
0 |
0 |
0.078 |
| 53 |
60 |
|
F |
4 |
3 |
6456 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
6149 |
48.9 |
-0.9 |
0.336 |
0 |
0 |
0 |
0.003 |
| 54 |
61 |
|
G |
4 |
2 |
6323 |
◊ |
E |
y-1,x,-z+1 |
7_456 |
10 |
5 |
6824 |
48.2 |
-1.4 |
0.244 |
0 |
0 |
0 |
0.005 |
| 55 |
62 |
|
A |
5 |
2 |
6413 |
◊ |
A |
y,x,-z+1 |
7_556 |
5 |
2 |
6413 |
44.1 |
-0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
| 56 |
63 |
|
D |
2 |
1 |
6149 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6413 |
39.3 |
-1.1 |
0.177 |
0 |
0 |
0 |
0.008 |
64 |
|
E |
1 |
1 |
6824 |
◊ |
G |
-y+3/2,x+1/2,z-1/4 |
3_654 |
2 |
1 |
6323 |
37.1 |
-1.2 |
0.095 |
0 |
0 |
0 |
0.008 |
65 |
|
B |
1 |
1 |
6350 |
◊ |
C |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
2 |
1 |
6245 |
34.7 |
-1.1 |
0.098 |
0 |
0 |
0 |
0.008 |
| Average: |
37.0 |
-1.1 |
0.124 |
0 |
0 |
0 |
0.008 |
| 57 |
66 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6456 |
33.4 |
-3.9 |
0.675 |
0 |
0 |
0 |
0.038 |
| 58 |
67 |
|
[SO4]G:202 |
3 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
7_556 |
3 |
2 |
6413 |
29.5 |
-3.4 |
0.732 |
1 |
0 |
0 |
0.017 |
| 59 |
68 |
|
[GOL]A:203 |
2 |
1 |
218 |
◊ |
G |
x,y,z |
1_555 |
5 |
4 |
6323 |
22.4 |
0.3 |
0.702 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
[SO4]B:204 |
2 |
1 |
185 |
◊ |
F |
y,x,-z+1 |
7_556 |
4 |
3 |
6456 |
21.8 |
-2.8 |
0.700 |
0 |
0 |
0 |
0.017 |
| 61 |
70 |
|
[SO4]B:202 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6413 |
17.8 |
-2.2 |
0.771 |
0 |
0 |
0 |
0.021 |
| 62 |
71 |
|
[SO4]C:201 |
1 |
1 |
185 |
◊ |
G |
-y+3/2,x+1/2,z-1/4 |
3_654 |
5 |
1 |
6323 |
13.1 |
-1.5 |
0.762 |
0 |
0 |
0 |
0.005 |
| 63 |
72 |
|
[SO4]C:202 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6824 |
10.6 |
-1.2 |
0.811 |
0 |
0 |
0 |
0.003 |
| 64 |
73 |
|
[SO4]D:201 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6245 |
10.4 |
-1.1 |
0.790 |
0 |
0 |
0 |
0.004 |
| 65 |
74 |
|
G |
4 |
1 |
6323 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
2 |
6413 |
6.6 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 66 |
75 |
|
[SO4]A:201 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6149 |
4.8 |
-0.7 |
0.492 |
0 |
0 |
0 |
0.002 |
| 67 |
76 |
|
[SO4]B:201 |
1 |
1 |
185 |
◊ |
C |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
1 |
1 |
6245 |
1.2 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 68 |
77 |
|
E |
1 |
1 |
6824 |
◊ |
[SO4]G:201 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
1 |
1 |
185 |
0.9 |
-0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
|