## |
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 |
|
F |
68 |
21 |
8245 |
◊ |
D |
x,y,z |
1_555 |
44 |
14 |
8527 |
521.7 |
-2.7 |
0.436 |
5 |
3 |
0 |
0.141 |
2 |
|
B |
45 |
14 |
8396 |
◊ |
A |
x,y,z |
1_555 |
69 |
20 |
8410 |
520.2 |
-3.7 |
0.325 |
5 |
3 |
0 |
0.141 |
3 |
|
E |
43 |
14 |
8337 |
◊ |
D |
x,y,z |
1_555 |
69 |
22 |
8527 |
502.0 |
-4.0 |
0.316 |
4 |
3 |
0 |
0.141 |
4 |
|
C |
70 |
20 |
8290 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
8410 |
501.5 |
-3.6 |
0.339 |
3 |
2 |
0 |
0.141 |
5 |
|
C |
40 |
13 |
8290 |
◊ |
B |
x,y,z |
1_555 |
65 |
19 |
8396 |
486.9 |
-3.8 |
0.323 |
3 |
2 |
0 |
0.141 |
6 |
|
F |
41 |
13 |
8245 |
◊ |
E |
x,y,z |
1_555 |
63 |
18 |
8337 |
478.4 |
-3.5 |
0.371 |
3 |
2 |
0 |
0.141 |
Average: |
501.8 |
-3.6 |
0.352 |
4 |
3 |
0 |
0.141 |
2 |
7 |
|
J |
37 |
9 |
1258 |
◊ |
B |
x,y,z |
1_555 |
66 |
21 |
8396 |
499.7 |
-8.4 |
0.556 |
7 |
0 |
0 |
0.474 |
8 |
|
N |
36 |
9 |
1273 |
◊ |
F |
x,y,z |
1_555 |
69 |
23 |
8245 |
499.5 |
-8.3 |
0.617 |
7 |
0 |
0 |
0.474 |
9 |
|
M |
36 |
9 |
1255 |
◊ |
E |
x,y,z |
1_555 |
70 |
21 |
8337 |
498.2 |
-8.1 |
0.621 |
7 |
0 |
0 |
0.474 |
10 |
|
I |
37 |
9 |
1262 |
◊ |
A |
x,y,z |
1_555 |
68 |
22 |
8410 |
497.5 |
-8.4 |
0.549 |
7 |
0 |
0 |
0.474 |
11 |
|
K |
37 |
9 |
1266 |
◊ |
C |
x,y,z |
1_555 |
68 |
20 |
8290 |
493.7 |
-8.1 |
0.596 |
7 |
0 |
0 |
0.474 |
12 |
|
L |
37 |
9 |
1253 |
◊ |
D |
x,y,z |
1_555 |
66 |
20 |
8527 |
493.4 |
-8.4 |
0.542 |
7 |
0 |
0 |
0.474 |
Average: |
497.0 |
-8.3 |
0.580 |
7 |
0 |
0 |
0.474 |
3 |
13 |
|
D |
45 |
15 |
8527 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
44 |
17 |
8410 |
381.1 |
-1.7 |
0.455 |
2 |
2 |
0 |
0.000 |
4 |
14 |
|
N |
19 |
7 |
1273 |
◊ |
K |
x,y,z |
1_555 |
21 |
7 |
1266 |
227.4 |
-6.8 |
0.803 |
0 |
0 |
0 |
1.000 |
15 |
|
L |
22 |
7 |
1253 |
◊ |
J |
x,y,z |
1_555 |
20 |
7 |
1258 |
227.1 |
-6.8 |
0.813 |
0 |
0 |
0 |
1.000 |
16 |
|
M |
20 |
7 |
1255 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
1262 |
225.9 |
-6.8 |
0.842 |
0 |
0 |
0 |
1.000 |
Average: |
226.8 |
-6.8 |
0.819 |
0 |
0 |
0 |
1.000 |
5 |
17 |
|
F |
27 |
10 |
8245 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
14 |
5 |
8337 |
168.8 |
-1.4 |
0.430 |
1 |
1 |
0 |
0.000 |
6 |
18 |
|
C |
23 |
7 |
8290 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
6 |
8410 |
161.4 |
-2.3 |
0.276 |
1 |
0 |
0 |
0.000 |
7 |
19 |
|
N |
14 |
5 |
1273 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
8290 |
158.1 |
-2.7 |
0.650 |
0 |
0 |
0 |
0.115 |
20 |
|
L |
14 |
5 |
1253 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
8396 |
144.1 |
-3.6 |
0.387 |
0 |
0 |
0 |
0.115 |
21 |
|
J |
10 |
4 |
1258 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
8527 |
137.8 |
-3.7 |
0.338 |
0 |
0 |
0 |
0.115 |
22 |
|
I |
13 |
4 |
1262 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
8337 |
135.6 |
-3.2 |
0.500 |
0 |
0 |
0 |
0.115 |
23 |
|
M |
11 |
4 |
1255 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
8410 |
135.0 |
-3.6 |
0.377 |
0 |
0 |
0 |
0.115 |
24 |
|
K |
11 |
4 |
1266 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
8245 |
134.0 |
-3.7 |
0.360 |
0 |
0 |
0 |
0.115 |
Average: |
140.7 |
-3.4 |
0.435 |
0 |
0 |
0 |
0.115 |
8 |
25 |
|
C |
20 |
9 |
8290 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
19 |
9 |
8396 |
158.0 |
2.2 |
0.811 |
3 |
3 |
0 |
0.000 |
9 |
26 |
|
D |
20 |
8 |
8527 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
8410 |
153.8 |
0.7 |
0.676 |
0 |
0 |
0 |
0.002 |
27 |
|
E |
17 |
8 |
8337 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
8290 |
126.3 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.002 |
28 |
|
F |
9 |
6 |
8245 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8396 |
87.1 |
-0.2 |
0.576 |
0 |
1 |
0 |
0.002 |
Average: |
122.4 |
-0.2 |
0.568 |
0 |
0 |
0 |
0.002 |
10 |
29 |
|
C |
18 |
9 |
8290 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
15 |
4 |
8527 |
146.9 |
1.4 |
0.767 |
0 |
0 |
0 |
0.000 |
11 |
30 |
|
F |
17 |
6 |
8245 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
5 |
8337 |
146.8 |
0.7 |
0.710 |
0 |
0 |
0 |
0.000 |
12 |
31 |
|
B |
12 |
7 |
8396 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
8410 |
112.9 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
13 |
32 |
|
[SO4]B:7 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8396 |
82.7 |
-11.9 |
0.675 |
2 |
0 |
0 |
0.526 |
14 |
33 |
|
[SO4]A:6 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8410 |
82.3 |
-11.9 |
0.679 |
2 |
0 |
0 |
0.527 |
15 |
34 |
|
[SO4]D:9 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8527 |
82.1 |
-12.0 |
0.697 |
3 |
0 |
0 |
0.536 |
16 |
35 |
|
[SO4]F:11 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
8245 |
81.2 |
-11.7 |
0.697 |
2 |
0 |
0 |
0.391 |
17 |
36 |
|
[SO4]E:10 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
8337 |
80.9 |
-11.6 |
0.686 |
2 |
0 |
0 |
0.528 |
18 |
37 |
|
[SO4]C:8 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
8290 |
80.8 |
-11.7 |
0.668 |
2 |
0 |
0 |
0.527 |
19 |
38 |
|
[SO4]D:9 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
8337 |
67.7 |
-8.7 |
0.812 |
2 |
0 |
0 |
0.074 |
20 |
39 |
|
[SO4]A:6 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
8396 |
66.2 |
-8.5 |
0.822 |
2 |
0 |
0 |
0.078 |
21 |
40 |
|
[SO4]F:11 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8527 |
66.2 |
-8.5 |
0.827 |
2 |
0 |
0 |
0.072 |
22 |
41 |
|
A |
6 |
3 |
8410 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
8 |
3 |
8337 |
64.2 |
1.8 |
0.843 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[SO4]B:7 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8290 |
62.2 |
-8.1 |
0.811 |
1 |
0 |
0 |
0.070 |
24 |
43 |
|
[SO4]E:10 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
8245 |
61.3 |
-7.8 |
0.818 |
1 |
0 |
0 |
0.063 |
25 |
44 |
|
[SO4]C:8 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8410 |
60.5 |
-7.9 |
0.805 |
1 |
0 |
0 |
0.069 |
26 |
45 |
|
C |
4 |
2 |
8290 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
2 |
8527 |
54.0 |
-0.5 |
0.457 |
1 |
0 |
0 |
0.000 |
27 |
46 |
|
C |
7 |
3 |
8290 |
◊ |
F |
-x-3/2,-y,z-1/2 |
2_354 |
8 |
4 |
8245 |
52.1 |
1.4 |
0.832 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
B |
6 |
3 |
8396 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
8527 |
45.1 |
0.5 |
0.752 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
[CA]F:3 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
8245 |
38.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.253 |
30 |
49 |
|
B |
5 |
2 |
8396 |
◊ |
F |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
2 |
8245 |
30.4 |
1.4 |
0.846 |
1 |
1 |
0 |
0.000 |
31 |
50 |
|
[ZN]D:5 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8337 |
29.6 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.326 |
51 |
|
[ZN]A:4 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8410 |
29.6 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.326 |
52 |
|
[ZN]A:4 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8396 |
29.3 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.326 |
53 |
|
[ZN]D:5 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
8527 |
29.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.326 |
54 |
|
[ZN]D:5 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8245 |
29.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.326 |
55 |
|
[ZN]A:4 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8290 |
29.0 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.326 |
Average: |
29.3 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.326 |
32 |
56 |
|
[CA]F:3 |
1 |
1 |
85 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
8337 |
27.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[CA]D:2 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8527 |
27.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.091 |
58 |
|
[CA]A:1 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8410 |
26.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
59 |
|
[CA]D:2 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
8245 |
26.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
60 |
|
[CA]A:1 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8290 |
26.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
61 |
|
[CA]A:1 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8396 |
26.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
62 |
|
[CA]D:2 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8337 |
26.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
26.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
34 |
63 |
|
F |
1 |
1 |
8245 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
8410 |
21.2 |
-0.1 |
0.279 |
0 |
0 |
0 |
0.000 |
35 |
64 |
|
B |
2 |
1 |
8396 |
◊ |
E |
-x-3/2,-y,z-1/2 |
2_354 |
5 |
3 |
8337 |
20.3 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
|