## |
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 |
|
L |
104 |
24 |
8720 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
105 |
24 |
8720 |
937.3 |
-12.4 |
0.130 |
14 |
10 |
0 |
0.633 |
2 |
|
K |
99 |
23 |
8760 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
98 |
23 |
8760 |
934.7 |
-11.5 |
0.138 |
14 |
14 |
0 |
0.633 |
3 |
|
D |
99 |
23 |
8747 |
◊ |
C |
x,y,z |
1_555 |
100 |
24 |
8784 |
917.3 |
-11.0 |
0.154 |
15 |
14 |
0 |
0.633 |
4 |
|
B |
97 |
23 |
8621 |
◊ |
A |
x,y,z |
1_555 |
98 |
24 |
8744 |
916.8 |
-11.1 |
0.147 |
16 |
14 |
0 |
0.633 |
5 |
|
F |
96 |
23 |
8645 |
◊ |
E |
x,y,z |
1_555 |
97 |
23 |
8709 |
915.0 |
-11.1 |
0.162 |
15 |
14 |
0 |
0.633 |
6 |
|
H |
99 |
23 |
8672 |
◊ |
G |
x,y,z |
1_555 |
99 |
25 |
8665 |
914.7 |
-11.5 |
0.142 |
14 |
11 |
0 |
0.633 |
7 |
|
J |
101 |
24 |
8702 |
◊ |
I |
x,y,z |
1_555 |
99 |
24 |
8779 |
908.0 |
-11.9 |
0.136 |
12 |
10 |
0 |
0.633 |
Average: |
920.5 |
-11.5 |
0.144 |
14 |
12 |
0 |
0.633 |
2 |
8 |
|
G |
58 |
17 |
8665 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
8621 |
552.3 |
-0.2 |
0.660 |
7 |
2 |
0 |
0.000 |
9 |
|
K |
55 |
14 |
8760 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
55 |
17 |
8744 |
549.9 |
0.8 |
0.728 |
7 |
1 |
0 |
0.000 |
10 |
|
F |
56 |
13 |
8645 |
◊ |
D |
x,y,z |
1_555 |
58 |
17 |
8747 |
544.7 |
-0.7 |
0.622 |
7 |
2 |
0 |
0.000 |
11 |
|
K |
57 |
17 |
8760 |
◊ |
H |
x,y,z |
1_555 |
56 |
13 |
8672 |
543.7 |
0.1 |
0.685 |
7 |
2 |
0 |
0.000 |
12 |
|
J |
57 |
14 |
8702 |
◊ |
C |
x,y,z |
1_555 |
58 |
17 |
8784 |
541.5 |
0.2 |
0.681 |
8 |
2 |
0 |
0.000 |
13 |
|
D |
58 |
14 |
8747 |
◊ |
B |
x,y,z |
1_555 |
57 |
17 |
8621 |
540.7 |
-1.4 |
0.539 |
9 |
1 |
0 |
0.000 |
14 |
|
L |
55 |
14 |
8720 |
◊ |
E |
-x,y,-z-1/2 |
3_554 |
58 |
17 |
8709 |
540.0 |
0.5 |
0.718 |
9 |
2 |
0 |
0.000 |
15 |
|
I |
56 |
17 |
8779 |
◊ |
A |
x,y,z |
1_555 |
55 |
13 |
8744 |
539.4 |
0.5 |
0.708 |
8 |
1 |
0 |
0.000 |
16 |
|
L |
56 |
17 |
8720 |
◊ |
C |
x,y,z |
1_555 |
55 |
14 |
8784 |
538.1 |
0.3 |
0.693 |
8 |
1 |
0 |
0.000 |
17 |
|
J |
56 |
17 |
8702 |
◊ |
E |
-x,y,-z-1/2 |
3_554 |
57 |
14 |
8709 |
535.7 |
0.4 |
0.716 |
7 |
2 |
0 |
0.000 |
18 |
|
I |
57 |
14 |
8779 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
58 |
17 |
8672 |
531.7 |
-0.9 |
0.641 |
8 |
0 |
0 |
0.000 |
19 |
|
G |
57 |
13 |
8665 |
◊ |
F |
x,y,z |
1_555 |
56 |
15 |
8645 |
526.5 |
-1.5 |
0.548 |
9 |
2 |
0 |
0.000 |
Average: |
540.4 |
-0.2 |
0.662 |
8 |
2 |
0 |
0.000 |
3 |
20 |
|
H |
61 |
15 |
8672 |
◊ |
F |
x,y,z |
1_555 |
51 |
14 |
8645 |
518.6 |
-4.9 |
0.284 |
8 |
12 |
0 |
0.482 |
21 |
|
G |
50 |
14 |
8665 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
8744 |
517.1 |
-5.2 |
0.223 |
8 |
9 |
0 |
0.482 |
22 |
|
E |
59 |
15 |
8709 |
◊ |
D |
x,y,z |
1_555 |
52 |
15 |
8747 |
509.7 |
-4.9 |
0.252 |
8 |
9 |
0 |
0.482 |
23 |
|
K |
60 |
15 |
8760 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
8744 |
508.4 |
-5.6 |
0.190 |
8 |
9 |
0 |
0.482 |
24 |
|
L |
51 |
15 |
8720 |
◊ |
D |
x,y,z |
1_555 |
61 |
15 |
8747 |
508.3 |
-5.3 |
0.222 |
8 |
9 |
0 |
0.482 |
25 |
|
J |
59 |
15 |
8702 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
54 |
15 |
8672 |
507.4 |
-5.9 |
0.185 |
8 |
9 |
0 |
0.482 |
26 |
|
I |
53 |
15 |
8779 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
8621 |
506.7 |
-4.9 |
0.260 |
8 |
9 |
0 |
0.482 |
27 |
|
J |
51 |
14 |
8702 |
◊ |
F |
-x,y,-z-1/2 |
3_554 |
60 |
15 |
8645 |
504.9 |
-5.7 |
0.208 |
7 |
9 |
0 |
0.482 |
28 |
|
K |
52 |
14 |
8760 |
◊ |
G |
x,y,z |
1_555 |
60 |
15 |
8665 |
504.3 |
-5.9 |
0.171 |
7 |
9 |
0 |
0.482 |
29 |
|
C |
60 |
15 |
8784 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
8621 |
504.2 |
-5.9 |
0.175 |
8 |
9 |
0 |
0.482 |
30 |
|
L |
61 |
15 |
8720 |
◊ |
E |
x,y,z |
1_555 |
51 |
14 |
8709 |
504.1 |
-6.0 |
0.181 |
8 |
9 |
0 |
0.482 |
31 |
|
I |
60 |
15 |
8779 |
◊ |
C |
x,y,z |
1_555 |
55 |
16 |
8784 |
502.7 |
-5.9 |
0.186 |
7 |
9 |
0 |
0.482 |
Average: |
508.0 |
-5.5 |
0.211 |
8 |
9 |
0 |
0.482 |
4 |
32 |
|
F |
27 |
10 |
8645 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
27 |
10 |
8621 |
258.5 |
0.2 |
0.691 |
7 |
2 |
0 |
0.000 |
5 |
33 |
|
G |
25 |
6 |
8665 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
21 |
8 |
8779 |
206.3 |
1.8 |
0.810 |
1 |
0 |
0 |
0.000 |
6 |
34 |
|
K |
25 |
11 |
8760 |
◊ |
E |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
25 |
11 |
8709 |
201.3 |
3.5 |
0.901 |
4 |
2 |
0 |
0.000 |
7 |
35 |
|
J |
17 |
7 |
8702 |
◊ |
J |
-x+1,y,-z-1/2 |
3_654 |
18 |
7 |
8702 |
169.3 |
-2.5 |
0.286 |
0 |
0 |
0 |
0.000 |
8 |
36 |
|
G |
16 |
6 |
8665 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
15 |
5 |
8784 |
122.7 |
-1.0 |
0.439 |
1 |
0 |
0 |
0.000 |
9 |
37 |
|
H |
9 |
3 |
8672 |
◊ |
L |
x-1/2,y-1/2,z |
5_445 |
13 |
4 |
8720 |
93.8 |
1.1 |
0.795 |
1 |
0 |
0 |
0.000 |
10 |
38 |
|
[SO4]E:202 |
5 |
1 |
184 |
f |
J |
-x,y,-z-1/2 |
3_554 |
12 |
5 |
8702 |
75.1 |
-10.6 |
0.680 |
2 |
0 |
0 |
0.306 |
11 |
39 |
|
[SO4]A:201 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8744 |
74.5 |
-10.5 |
0.655 |
3 |
0 |
0 |
0.298 |
12 |
40 |
|
[SO4]K:201 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
8760 |
74.2 |
-10.6 |
0.649 |
3 |
0 |
0 |
0.546 |
13 |
41 |
|
[SO4]E:201 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
8709 |
73.7 |
-10.7 |
0.644 |
3 |
0 |
0 |
0.303 |
14 |
42 |
|
B |
10 |
5 |
8621 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
11 |
5 |
8779 |
73.3 |
0.3 |
0.650 |
0 |
0 |
0 |
0.000 |
15 |
43 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
L |
x-1/2,y-1/2,z |
5_445 |
11 |
5 |
8720 |
72.7 |
-10.4 |
0.668 |
2 |
0 |
0 |
0.528 |
16 |
44 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8747 |
72.7 |
-10.5 |
0.669 |
2 |
0 |
0 |
0.230 |
17 |
45 |
|
[SO4]H:201 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
8672 |
72.5 |
-10.4 |
0.688 |
2 |
0 |
0 |
0.367 |
18 |
46 |
|
G |
6 |
2 |
8665 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
11 |
3 |
8621 |
69.7 |
0.1 |
0.642 |
1 |
0 |
0 |
0.000 |
19 |
47 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8784 |
67.7 |
-9.4 |
0.628 |
3 |
0 |
0 |
0.217 |
20 |
48 |
|
[SO4]F:201 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
8645 |
55.8 |
-6.8 |
0.870 |
2 |
0 |
0 |
0.194 |
21 |
49 |
|
[SO4]A:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8744 |
55.4 |
-6.7 |
0.866 |
2 |
0 |
0 |
0.191 |
22 |
50 |
|
[SO4]D:201 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8747 |
55.3 |
-6.7 |
0.870 |
2 |
0 |
0 |
0.154 |
23 |
51 |
|
[SO4]C:201 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
8784 |
55.1 |
-6.6 |
0.874 |
2 |
0 |
0 |
0.117 |
24 |
52 |
|
[SO4]F:201 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
8672 |
54.6 |
-6.6 |
0.889 |
2 |
0 |
0 |
0.098 |
25 |
53 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
8709 |
54.5 |
-6.5 |
0.867 |
2 |
0 |
0 |
0.085 |
26 |
54 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
8779 |
54.2 |
-6.6 |
0.870 |
2 |
0 |
0 |
0.199 |
27 |
55 |
|
[SO4]A:202 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
8665 |
54.0 |
-6.6 |
0.864 |
2 |
0 |
0 |
0.097 |
28 |
56 |
|
G |
9 |
4 |
8665 |
◊ |
L |
x-1/2,y-1/2,z |
5_445 |
9 |
5 |
8720 |
54.0 |
-0.3 |
0.491 |
0 |
0 |
0 |
0.000 |
57 |
|
H |
7 |
4 |
8672 |
◊ |
L |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
7 |
3 |
8720 |
47.6 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
Average: |
50.8 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
29 |
58 |
|
[SO4]C:201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
8621 |
53.4 |
-6.6 |
0.863 |
2 |
0 |
0 |
0.116 |
30 |
59 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
9 |
5 |
8720 |
53.0 |
-6.4 |
0.868 |
2 |
0 |
0 |
0.083 |
31 |
60 |
|
[SO4]A:202 |
5 |
1 |
183 |
◊ |
K |
x,y,z |
1_555 |
8 |
5 |
8760 |
52.3 |
-6.4 |
0.875 |
2 |
0 |
0 |
0.094 |
32 |
61 |
|
[SO4]F:201 |
5 |
1 |
185 |
◊ |
J |
-x,y,-z-1/2 |
3_554 |
9 |
5 |
8702 |
52.1 |
-6.3 |
0.878 |
2 |
0 |
0 |
0.094 |
33 |
62 |
|
G |
3 |
1 |
8665 |
◊ |
E |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
9 |
3 |
8709 |
51.0 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
63 |
|
K |
7 |
3 |
8760 |
◊ |
L |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
3 |
1 |
8720 |
43.2 |
-0.6 |
0.240 |
0 |
0 |
0 |
0.000 |
Average: |
47.1 |
-0.2 |
0.463 |
0 |
0 |
0 |
0.000 |
34 |
64 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8665 |
43.0 |
-5.1 |
0.821 |
1 |
0 |
0 |
0.000 |
35 |
65 |
|
[SO4]H:201 |
3 |
1 |
185 |
◊ |
L |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
6 |
3 |
8720 |
41.9 |
-5.0 |
0.807 |
1 |
0 |
0 |
0.000 |
36 |
66 |
|
L |
6 |
2 |
8720 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8702 |
34.3 |
0.8 |
0.805 |
0 |
0 |
0 |
0.000 |
67 |
|
G |
6 |
2 |
8665 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8747 |
34.1 |
0.7 |
0.786 |
0 |
0 |
0 |
0.000 |
68 |
|
K |
6 |
2 |
8760 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
6 |
2 |
8779 |
26.0 |
0.7 |
0.767 |
0 |
0 |
0 |
0.000 |
69 |
|
H |
5 |
2 |
8672 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
6 |
2 |
8744 |
24.3 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
70 |
|
F |
5 |
2 |
8645 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8621 |
19.8 |
0.6 |
0.760 |
0 |
0 |
0 |
0.000 |
71 |
|
E |
6 |
2 |
8709 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
6 |
2 |
8784 |
18.8 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
Average: |
26.2 |
0.6 |
0.770 |
0 |
0 |
0 |
0.000 |
37 |
72 |
|
D |
3 |
1 |
8747 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
8779 |
29.6 |
1.2 |
0.891 |
1 |
0 |
0 |
0.000 |
38 |
73 |
|
[SO4]H:201 |
3 |
1 |
185 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
8779 |
22.3 |
-2.5 |
0.891 |
0 |
0 |
0 |
0.000 |
39 |
74 |
|
[SO4]G:201 |
3 |
1 |
185 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
8784 |
20.1 |
-2.2 |
0.887 |
0 |
0 |
0 |
0.000 |
40 |
75 |
|
[SO4]A:201 |
4 |
1 |
184 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
8760 |
16.4 |
-1.4 |
0.880 |
0 |
0 |
0 |
0.000 |
41 |
76 |
|
[SO4]K:201 |
3 |
1 |
184 |
◊ |
E |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
2 |
1 |
8709 |
16.3 |
-1.8 |
0.871 |
0 |
0 |
0 |
0.000 |
42 |
77 |
|
[SO4]E:202 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8709 |
16.2 |
-1.7 |
0.874 |
0 |
0 |
0 |
0.000 |
43 |
78 |
|
[SO4]C:202 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8702 |
13.8 |
-1.2 |
0.892 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
[SO4]E:201 |
3 |
1 |
184 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
8720 |
13.7 |
-1.5 |
0.868 |
0 |
0 |
0 |
0.000 |
45 |
80 |
|
[SO4]D:202 |
2 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8645 |
12.7 |
-1.4 |
0.853 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
[SO4]K:201 |
2 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
8672 |
12.7 |
-1.3 |
0.853 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
F |
1 |
1 |
8645 |
◊ |
F |
-x-1,y,-z-1/2 |
3_454 |
1 |
1 |
8645 |
10.7 |
0.8 |
0.926 |
0 |
0 |
0 |
0.000 |
48 |
83 |
|
K |
1 |
1 |
8760 |
◊ |
J |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
8702 |
9.3 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
49 |
84 |
|
D |
1 |
1 |
8747 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
2 |
2 |
8621 |
8.3 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
50 |
85 |
|
B |
1 |
1 |
8621 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
8621 |
4.1 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
51 |
86 |
|
[SO4]D:202 |
1 |
1 |
186 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
8779 |
2.5 |
-0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
52 |
87 |
|
F |
1 |
1 |
8645 |
◊ |
J |
x-1,y,z |
1_455 |
1 |
1 |
8702 |
2.1 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
|