## |
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 |
|
J |
92 |
28 |
9273 |
◊ |
G |
-x+1/2,-y-1,z-1/2 |
2_544 |
91 |
25 |
9022 |
848.3 |
5.0 |
0.902 |
14 |
7 |
0 |
0.023 |
2 |
|
D |
92 |
26 |
9059 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
92 |
25 |
8701 |
845.1 |
5.1 |
0.901 |
11 |
8 |
0 |
0.023 |
3 |
|
L |
92 |
24 |
8968 |
◊ |
K |
x,y,z |
1_555 |
93 |
25 |
8704 |
821.5 |
-0.0 |
0.756 |
10 |
5 |
0 |
0.023 |
4 |
|
I |
85 |
27 |
9153 |
◊ |
E |
x,y,z |
1_555 |
88 |
28 |
9373 |
815.2 |
3.7 |
0.868 |
12 |
6 |
0 |
0.023 |
5 |
|
B |
90 |
24 |
8863 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
8974 |
808.4 |
-0.1 |
0.712 |
11 |
6 |
0 |
0.023 |
6 |
|
C |
85 |
24 |
9066 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
82 |
24 |
8853 |
788.4 |
3.5 |
0.886 |
10 |
6 |
0 |
0.023 |
Average: |
821.1 |
2.9 |
0.837 |
11 |
6 |
0 |
0.023 |
2 |
7 |
|
K |
79 |
23 |
8704 |
◊ |
J |
x,y,z |
1_555 |
67 |
24 |
9273 |
739.6 |
-10.5 |
0.083 |
6 |
0 |
0 |
0.450 |
8 |
|
B |
73 |
20 |
8863 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
73 |
25 |
9022 |
707.2 |
-10.2 |
0.080 |
7 |
1 |
0 |
0.450 |
Average: |
723.4 |
-10.3 |
0.082 |
7 |
1 |
0 |
0.450 |
3 |
9 |
|
J |
62 |
18 |
9273 |
◊ |
C |
x,y,z |
1_555 |
74 |
29 |
9066 |
695.7 |
-8.2 |
0.151 |
5 |
0 |
0 |
0.176 |
10 |
|
H |
67 |
26 |
8701 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
59 |
16 |
9022 |
682.1 |
-8.2 |
0.111 |
5 |
0 |
0 |
0.176 |
Average: |
688.9 |
-8.2 |
0.131 |
5 |
0 |
0 |
0.176 |
4 |
11 |
|
L |
57 |
24 |
8968 |
◊ |
D |
x,y,z-1 |
1_554 |
53 |
13 |
9059 |
537.3 |
-5.7 |
0.240 |
4 |
0 |
0 |
0.125 |
12 |
|
E |
45 |
17 |
9373 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
49 |
13 |
8974 |
448.4 |
-7.3 |
0.101 |
1 |
0 |
0 |
0.125 |
13 |
|
L |
45 |
12 |
8968 |
◊ |
I |
-x-1/2,-y-1,z-1/2 |
2_444 |
47 |
17 |
9153 |
435.1 |
-6.3 |
0.182 |
1 |
0 |
0 |
0.125 |
14 |
|
E |
47 |
12 |
9373 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
45 |
21 |
8853 |
426.5 |
-6.3 |
0.145 |
1 |
0 |
0 |
0.125 |
15 |
|
F |
41 |
10 |
8853 |
◊ |
A |
x,y,z |
1_555 |
38 |
16 |
8974 |
372.4 |
-7.2 |
0.078 |
1 |
0 |
0 |
0.125 |
16 |
|
I |
45 |
10 |
9153 |
◊ |
D |
-x-1/2,-y-1,z-1/2 |
2_444 |
36 |
16 |
9059 |
343.7 |
-5.5 |
0.167 |
1 |
0 |
0 |
0.125 |
Average: |
427.2 |
-6.4 |
0.152 |
2 |
0 |
0 |
0.125 |
5 |
17 |
|
K |
52 |
19 |
8704 |
◊ |
C |
x,y,z |
1_555 |
51 |
14 |
9066 |
506.5 |
-8.2 |
0.089 |
3 |
0 |
0 |
0.117 |
18 |
|
H |
41 |
11 |
8701 |
◊ |
B |
x,y,z |
1_555 |
43 |
18 |
8863 |
393.6 |
-4.9 |
0.199 |
4 |
0 |
0 |
0.117 |
Average: |
450.1 |
-6.5 |
0.144 |
4 |
0 |
0 |
0.117 |
6 |
19 |
|
E |
38 |
13 |
9373 |
◊ |
D |
x,y,z |
1_555 |
42 |
13 |
9059 |
369.7 |
-1.1 |
0.512 |
3 |
0 |
0 |
0.063 |
20 |
|
G |
40 |
14 |
9022 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
8974 |
350.9 |
-1.7 |
0.471 |
2 |
0 |
0 |
0.063 |
21 |
|
K |
34 |
12 |
8704 |
◊ |
F |
x,y,z |
1_555 |
38 |
12 |
8853 |
333.8 |
0.3 |
0.649 |
5 |
0 |
0 |
0.063 |
Average: |
351.5 |
-0.9 |
0.544 |
3 |
0 |
0 |
0.063 |
7 |
22 |
|
C |
32 |
10 |
9066 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
8974 |
293.1 |
0.1 |
0.600 |
1 |
0 |
0 |
0.009 |
23 |
|
E |
30 |
11 |
9373 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
8863 |
281.6 |
-0.3 |
0.517 |
1 |
0 |
0 |
0.009 |
24 |
|
I |
23 |
8 |
9153 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
9 |
8853 |
205.4 |
-1.1 |
0.464 |
2 |
0 |
0 |
0.009 |
Average: |
260.0 |
-0.4 |
0.527 |
1 |
0 |
0 |
0.009 |
8 |
25 |
|
D |
22 |
7 |
9059 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
8863 |
231.9 |
1.6 |
0.793 |
5 |
1 |
0 |
0.007 |
26 |
|
I |
20 |
9 |
9153 |
◊ |
K |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
4 |
8704 |
149.5 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.007 |
Average: |
190.7 |
0.7 |
0.693 |
3 |
1 |
0 |
0.007 |
9 |
27 |
|
G |
20 |
6 |
9022 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
9066 |
201.8 |
1.1 |
0.746 |
4 |
0 |
0 |
0.007 |
10 |
28 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8863 |
92.6 |
-13.5 |
0.754 |
4 |
0 |
0 |
0.216 |
11 |
29 |
|
L |
8 |
2 |
8968 |
◊ |
J |
x,y,z |
1_555 |
12 |
5 |
9273 |
90.8 |
-1.6 |
0.202 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
9 |
2 |
8974 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
9022 |
81.6 |
0.5 |
0.632 |
1 |
0 |
0 |
0.000 |
Average: |
86.2 |
-0.6 |
0.417 |
1 |
0 |
0 |
0.000 |
12 |
31 |
|
[SO4]B:303 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8863 |
88.5 |
-9.9 |
0.938 |
2 |
0 |
0 |
0.152 |
13 |
32 |
|
[SO4]D:301 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
9373 |
84.1 |
-11.0 |
0.749 |
3 |
0 |
0 |
0.305 |
14 |
33 |
|
[SO4]G:217 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
8974 |
83.8 |
-10.9 |
0.767 |
3 |
0 |
0 |
0.294 |
15 |
34 |
|
[SO4]J:301 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
10 |
6 |
8704 |
80.9 |
-10.0 |
0.932 |
3 |
0 |
0 |
0.388 |
16 |
35 |
|
L |
9 |
2 |
8968 |
◊ |
H |
x,y,z-1 |
1_554 |
10 |
2 |
8701 |
79.2 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.002 |
17 |
36 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
9066 |
79.2 |
-12.1 |
0.723 |
3 |
0 |
0 |
0.167 |
18 |
37 |
|
[SO4]G:217 |
5 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
9022 |
77.6 |
-10.3 |
0.694 |
3 |
0 |
0 |
0.281 |
19 |
38 |
|
[SO4]D:301 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
9059 |
76.7 |
-10.1 |
0.696 |
3 |
0 |
0 |
0.281 |
20 |
39 |
|
H |
9 |
3 |
8701 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
9273 |
71.5 |
-0.9 |
0.432 |
0 |
0 |
0 |
0.007 |
21 |
40 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8863 |
71.0 |
-9.7 |
0.750 |
3 |
0 |
0 |
0.155 |
22 |
41 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9066 |
70.0 |
-9.4 |
0.745 |
3 |
0 |
0 |
0.133 |
23 |
42 |
|
[SO4]A:301 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8974 |
65.4 |
-8.6 |
0.829 |
2 |
0 |
0 |
0.098 |
24 |
43 |
|
[SO4]B:301 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
9373 |
62.9 |
-8.1 |
0.807 |
2 |
0 |
0 |
0.082 |
25 |
44 |
|
[CL]C:300 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9066 |
60.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.104 |
45 |
|
[CL]B:300 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8863 |
59.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
59.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.104 |
26 |
46 |
|
[SO4]G:301 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
9022 |
55.5 |
-7.2 |
0.830 |
1 |
0 |
0 |
0.183 |
27 |
47 |
|
[SO4]D:302 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
9059 |
51.2 |
-6.8 |
0.744 |
1 |
0 |
0 |
0.178 |
28 |
48 |
|
[SO4]J:301 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8968 |
46.2 |
-5.8 |
0.611 |
0 |
0 |
0 |
0.026 |
29 |
49 |
|
[SO4]B:303 |
4 |
1 |
184 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
9022 |
45.1 |
-4.5 |
0.947 |
2 |
0 |
0 |
0.076 |
30 |
50 |
|
[SO4]G:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8974 |
44.4 |
-5.3 |
0.952 |
3 |
0 |
0 |
0.159 |
31 |
51 |
|
[SO4]D:302 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9373 |
43.8 |
-5.0 |
0.963 |
2 |
0 |
0 |
0.144 |
32 |
52 |
|
[SO4]D:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8863 |
42.3 |
-4.2 |
0.924 |
2 |
0 |
0 |
0.047 |
33 |
53 |
|
[SO4]J:301 |
3 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
9273 |
40.9 |
-3.8 |
0.978 |
2 |
0 |
0 |
0.162 |
34 |
54 |
|
[SO4]G:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
9066 |
40.8 |
-4.2 |
0.887 |
1 |
0 |
0 |
0.048 |
35 |
55 |
|
[SO4]C:302 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
9022 |
39.0 |
-3.3 |
0.979 |
1 |
0 |
0 |
0.039 |
36 |
56 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9059 |
38.8 |
-3.4 |
0.975 |
2 |
0 |
0 |
0.039 |
37 |
57 |
|
[SO4]B:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8974 |
31.4 |
-4.3 |
0.691 |
0 |
0 |
0 |
0.000 |
38 |
58 |
|
L |
1 |
1 |
8968 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8853 |
28.1 |
1.3 |
0.885 |
0 |
0 |
0 |
0.000 |
39 |
59 |
|
[SO4]A:301 |
1 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
9022 |
19.2 |
-2.7 |
0.439 |
0 |
0 |
0 |
0.028 |
40 |
60 |
|
[SO4]B:301 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9059 |
19.1 |
-2.6 |
0.419 |
0 |
0 |
0 |
0.024 |
41 |
61 |
|
[SO4]D:302 |
2 |
1 |
184 |
◊ |
[SO4]B:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
8.5 |
-2.0 |
0.960 |
0 |
0 |
0 |
0.019 |
42 |
62 |
|
[SO4]G:301 |
1 |
1 |
185 |
◊ |
[SO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
185 |
6.4 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.016 |
43 |
63 |
|
[SO4]D:302 |
1 |
1 |
184 |
◊ |
[SO4]D:301 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.031 |
44 |
64 |
|
[SO4]G:301 |
1 |
1 |
185 |
◊ |
[SO4]G:217 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.2 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.019 |
45 |
65 |
|
E |
1 |
1 |
9373 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
9022 |
0.9 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|