## |
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 |
|
C |
73 |
24 |
16595 |
◊ |
A |
x,y,z |
1_555 |
79 |
20 |
16610 |
739.9 |
-2.1 |
0.559 |
9 |
0 |
0 |
0.030 |
2 |
|
D |
76 |
20 |
16000 |
◊ |
B |
x,y,z |
1_555 |
69 |
23 |
16653 |
703.9 |
-2.6 |
0.482 |
9 |
0 |
0 |
0.030 |
Average: |
721.9 |
-2.4 |
0.521 |
9 |
0 |
0 |
0.030 |
2 |
3 |
|
A |
68 |
20 |
16610 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
69 |
16 |
16595 |
658.3 |
-4.7 |
0.375 |
5 |
5 |
0 |
0.000 |
3 |
4 |
|
C |
52 |
20 |
16595 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
56 |
14 |
16610 |
489.1 |
-3.2 |
0.433 |
7 |
0 |
0 |
0.028 |
5 |
|
D |
42 |
12 |
16000 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
38 |
13 |
16653 |
360.4 |
-3.0 |
0.413 |
5 |
0 |
0 |
0.028 |
Average: |
424.7 |
-3.1 |
0.423 |
6 |
0 |
0 |
0.028 |
4 |
6 |
|
B |
42 |
14 |
16653 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
16610 |
450.4 |
-1.6 |
0.504 |
4 |
0 |
1 |
0.045 |
7 |
|
D |
36 |
11 |
16000 |
◊ |
C |
x,y,z |
1_555 |
39 |
14 |
16595 |
389.1 |
-2.7 |
0.415 |
5 |
1 |
1 |
0.045 |
Average: |
419.7 |
-2.1 |
0.460 |
5 |
1 |
1 |
0.045 |
5 |
8 |
|
D |
49 |
12 |
16000 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
54 |
11 |
16610 |
448.4 |
-1.8 |
0.546 |
0 |
0 |
0 |
0.004 |
6 |
9 |
|
D |
42 |
12 |
16000 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
13 |
16610 |
394.7 |
-1.2 |
0.584 |
8 |
0 |
0 |
0.000 |
7 |
10 |
|
[3JD]A:9001 |
24 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
62 |
17 |
16610 |
366.0 |
-5.7 |
0.606 |
3 |
0 |
0 |
0.071 |
11 |
|
[3JD]B:9001 |
24 |
1 |
540 |
f |
B |
x,y,z |
1_555 |
59 |
17 |
16653 |
362.7 |
-5.6 |
0.646 |
3 |
0 |
0 |
0.071 |
12 |
|
[3JD]C:9001 |
24 |
1 |
537 |
f |
C |
x,y,z |
1_555 |
55 |
17 |
16595 |
355.9 |
-5.6 |
0.602 |
3 |
0 |
0 |
0.071 |
13 |
|
[3JD]D:1103 |
24 |
1 |
541 |
f |
D |
x,y,z |
1_555 |
60 |
17 |
16000 |
355.6 |
-5.9 |
0.615 |
3 |
0 |
0 |
0.071 |
Average: |
360.0 |
-5.7 |
0.617 |
3 |
0 |
0 |
0.071 |
8 |
14 |
|
C |
44 |
12 |
16595 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
45 |
16 |
16653 |
350.9 |
0.3 |
0.688 |
4 |
4 |
0 |
0.000 |
9 |
15 |
|
C |
39 |
10 |
16595 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
16653 |
335.0 |
-4.7 |
0.242 |
0 |
0 |
0 |
0.011 |
10 |
16 |
|
B |
20 |
6 |
16653 |
◊ |
C |
-x-2,y-1/2,-z-1/2 |
3_344 |
21 |
7 |
16595 |
191.3 |
-0.9 |
0.509 |
3 |
1 |
0 |
0.000 |
11 |
17 |
|
B |
17 |
5 |
16653 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
22 |
5 |
16610 |
188.6 |
1.0 |
0.668 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
21 |
7 |
16000 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
16595 |
163.0 |
-1.4 |
0.444 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
8 |
5 |
16653 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
7 |
16610 |
84.3 |
-0.6 |
0.497 |
0 |
0 |
0 |
0.000 |
Average: |
123.6 |
-1.0 |
0.471 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[SO4]D:1104 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
16000 |
100.8 |
-16.1 |
0.725 |
4 |
0 |
0 |
0.177 |
21 |
|
[SO4]C:9005 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16595 |
100.1 |
-15.6 |
0.725 |
4 |
0 |
0 |
0.177 |
Average: |
100.5 |
-15.8 |
0.725 |
4 |
0 |
0 |
0.177 |
14 |
22 |
|
[SO4]A:9004 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
16610 |
100.3 |
-16.0 |
0.714 |
4 |
0 |
0 |
0.091 |
15 |
23 |
|
[SO4]B:9003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16653 |
99.8 |
-15.8 |
0.730 |
3 |
0 |
0 |
0.088 |
16 |
24 |
|
B |
12 |
3 |
16653 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
2 |
16653 |
96.3 |
-0.7 |
0.506 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]C:9003 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
16595 |
95.0 |
-14.7 |
0.723 |
4 |
0 |
0 |
0.083 |
18 |
26 |
|
[SO4]B:9004 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
16653 |
93.9 |
-14.6 |
0.747 |
4 |
0 |
0 |
0.084 |
19 |
27 |
|
[SO4]A:9002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16610 |
92.0 |
-14.3 |
0.732 |
4 |
0 |
0 |
0.082 |
20 |
28 |
|
[SO4]B:9002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
16653 |
91.4 |
-13.7 |
0.623 |
3 |
0 |
0 |
0.077 |
21 |
29 |
|
[SO4]D:1105 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
16000 |
91.3 |
-14.5 |
0.720 |
4 |
0 |
0 |
0.082 |
22 |
30 |
|
[SO4]D:1101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16595 |
85.9 |
-9.6 |
0.930 |
1 |
0 |
0 |
0.050 |
23 |
31 |
|
[SO4]A:9003 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
16610 |
84.1 |
-12.2 |
0.682 |
1 |
0 |
0 |
0.065 |
24 |
32 |
|
[SO4]D:1106 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
16000 |
83.9 |
-12.0 |
0.671 |
1 |
0 |
0 |
0.062 |
25 |
33 |
|
[SO4]C:9004 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16595 |
82.3 |
-12.0 |
0.675 |
1 |
0 |
0 |
0.063 |
26 |
34 |
|
[SO4]B:9005 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16653 |
82.0 |
-11.8 |
0.678 |
1 |
0 |
0 |
0.063 |
27 |
35 |
|
[SO4]A:9005 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16653 |
82.0 |
-8.8 |
0.959 |
2 |
0 |
0 |
0.050 |
28 |
36 |
|
[SO4]C:9002 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
16595 |
81.5 |
-11.9 |
0.580 |
2 |
0 |
0 |
0.064 |
29 |
37 |
|
[SO4]D:1102 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
16000 |
76.7 |
-11.4 |
0.631 |
3 |
0 |
0 |
0.064 |
30 |
38 |
|
[SO4]B:9007 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16653 |
76.6 |
-9.5 |
0.931 |
3 |
0 |
0 |
0.056 |
31 |
39 |
|
[SO4]D:1102 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
16595 |
73.9 |
-10.7 |
0.623 |
3 |
0 |
0 |
0.061 |
32 |
40 |
|
[SO4]B:9006 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16653 |
70.7 |
-9.7 |
0.835 |
2 |
0 |
0 |
0.054 |
33 |
41 |
|
D |
6 |
1 |
16000 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
7 |
2 |
16653 |
62.4 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[SO4]D:1101 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
16000 |
58.1 |
-6.8 |
0.912 |
2 |
0 |
0 |
0.039 |
35 |
43 |
|
[SO4]A:9005 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
16610 |
57.4 |
-6.2 |
0.934 |
2 |
0 |
0 |
0.037 |
36 |
44 |
|
[SO4]D:1106 |
4 |
1 |
185 |
f |
[3JD]D:1103 |
x,y,z |
1_555 |
12 |
1 |
541 |
52.4 |
-6.7 |
0.977 |
2 |
0 |
0 |
0.038 |
37 |
45 |
|
[SO4]B:9006 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
16595 |
50.9 |
-5.6 |
0.880 |
1 |
0 |
0 |
0.014 |
38 |
46 |
|
B |
8 |
3 |
16653 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
16610 |
50.7 |
0.6 |
0.710 |
0 |
1 |
0 |
0.000 |
39 |
47 |
|
[SO4]B:9005 |
5 |
1 |
185 |
f |
[3JD]B:9001 |
x,y,z |
1_555 |
11 |
1 |
540 |
48.8 |
-6.3 |
0.986 |
2 |
0 |
0 |
0.037 |
40 |
48 |
|
[SO4]A:9003 |
5 |
1 |
184 |
f |
[3JD]A:9001 |
x,y,z |
1_555 |
13 |
1 |
536 |
47.4 |
-5.9 |
0.990 |
0 |
0 |
0 |
0.030 |
41 |
49 |
|
[SO4]C:9004 |
5 |
1 |
186 |
f |
[3JD]C:9001 |
x,y,z |
1_555 |
12 |
1 |
537 |
46.5 |
-6.0 |
0.987 |
0 |
0 |
0 |
0.030 |
42 |
50 |
|
A |
5 |
1 |
16610 |
◊ |
D |
-x-2,y-1/2,-z-1/2 |
3_344 |
5 |
2 |
16000 |
41.1 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[SO4]B:9005 |
4 |
1 |
185 |
f |
[SO4]B:9004 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.6 |
-7.0 |
0.998 |
0 |
0 |
0 |
0.036 |
44 |
52 |
|
D |
4 |
3 |
16000 |
◊ |
C |
-x-2,y-1/2,-z-1/2 |
3_344 |
3 |
1 |
16595 |
30.1 |
-1.0 |
0.214 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[SO4]D:1106 |
4 |
1 |
185 |
f |
[SO4]D:1105 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.5 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.032 |
46 |
54 |
|
[SO4]A:9003 |
4 |
1 |
184 |
f |
[SO4]A:9002 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.7 |
-6.3 |
0.998 |
0 |
0 |
0 |
0.032 |
47 |
55 |
|
[SO4]D:1101 |
3 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
16610 |
28.2 |
-3.1 |
0.908 |
0 |
0 |
0 |
0.007 |
48 |
56 |
|
[SO4]C:9004 |
3 |
1 |
186 |
f |
[SO4]C:9003 |
x,y,z |
1_555 |
4 |
1 |
186 |
27.6 |
-6.2 |
0.995 |
0 |
0 |
0 |
0.031 |
49 |
57 |
|
D |
3 |
1 |
16000 |
◊ |
[SO4]A:9005 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
184 |
19.0 |
-2.0 |
0.892 |
0 |
0 |
0 |
0.005 |
50 |
58 |
|
[SO4]B:9007 |
1 |
1 |
186 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
16610 |
14.5 |
-1.6 |
0.790 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[SO4]A:9002 |
1 |
1 |
185 |
f |
[3JD]A:9001 |
x,y,z |
1_555 |
1 |
1 |
536 |
9.3 |
-1.0 |
0.837 |
0 |
0 |
0 |
0.005 |
52 |
60 |
|
[SO4]C:9003 |
1 |
1 |
186 |
f |
[3JD]C:9001 |
x,y,z |
1_555 |
1 |
1 |
537 |
8.7 |
-0.9 |
0.837 |
0 |
0 |
0 |
0.005 |
53 |
61 |
|
[SO4]B:9004 |
1 |
1 |
185 |
f |
[3JD]B:9001 |
x,y,z |
1_555 |
1 |
1 |
540 |
7.9 |
-0.9 |
0.837 |
0 |
0 |
0 |
0.004 |
54 |
62 |
|
[SO4]D:1105 |
1 |
1 |
184 |
f |
[3JD]D:1103 |
x,y,z |
1_555 |
1 |
1 |
541 |
7.7 |
-0.8 |
0.837 |
0 |
0 |
0 |
0.004 |
55 |
63 |
|
[SO4]C:9002 |
1 |
1 |
184 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
16653 |
3.5 |
-0.5 |
0.617 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
B |
1 |
1 |
16653 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16595 |
1.7 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
|