## |
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 |
91 |
29 |
11433 |
◊ |
B |
x,y,z |
1_555 |
93 |
29 |
11317 |
868.0 |
2.9 |
0.776 |
17 |
18 |
0 |
0.093 |
2 |
|
D |
91 |
28 |
11073 |
◊ |
A |
x,y,z |
1_555 |
88 |
29 |
11336 |
861.3 |
3.0 |
0.786 |
18 |
17 |
0 |
0.093 |
Average: |
864.7 |
2.9 |
0.781 |
18 |
18 |
0 |
0.093 |
2 |
3 |
|
C |
55 |
14 |
11433 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
56 |
15 |
11317 |
497.9 |
1.0 |
0.621 |
11 |
4 |
0 |
0.048 |
4 |
|
D |
55 |
14 |
11073 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
52 |
14 |
11336 |
459.5 |
1.8 |
0.707 |
11 |
5 |
0 |
0.048 |
Average: |
478.7 |
1.4 |
0.664 |
11 |
5 |
0 |
0.048 |
3 |
5 |
|
B |
32 |
12 |
11317 |
◊ |
D |
x-1,y,z+1 |
1_456 |
31 |
9 |
11073 |
283.6 |
-0.1 |
0.535 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
29 |
9 |
11317 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
12 |
11433 |
279.1 |
-0.6 |
0.501 |
3 |
1 |
0 |
0.000 |
7 |
|
A |
25 |
7 |
11336 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
11 |
11073 |
273.2 |
-0.7 |
0.490 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
24 |
7 |
11433 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
11336 |
264.8 |
-1.5 |
0.392 |
2 |
1 |
0 |
0.000 |
Average: |
275.2 |
-0.7 |
0.480 |
3 |
1 |
0 |
0.000 |
4 |
9 |
|
D |
27 |
7 |
11073 |
◊ |
C |
x,y,z-1 |
1_554 |
28 |
8 |
11433 |
242.2 |
0.4 |
0.599 |
2 |
2 |
0 |
0.000 |
10 |
|
B |
27 |
7 |
11317 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
7 |
11336 |
242.2 |
1.1 |
0.679 |
3 |
2 |
0 |
0.000 |
Average: |
242.2 |
0.7 |
0.639 |
3 |
2 |
0 |
0.000 |
5 |
11 |
|
[GOL]C:307 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
11433 |
152.0 |
-1.0 |
0.457 |
5 |
0 |
0 |
0.024 |
12 |
|
[GOL]A:304 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
11336 |
150.5 |
-0.6 |
0.492 |
3 |
0 |
0 |
0.024 |
Average: |
151.2 |
-0.8 |
0.475 |
4 |
0 |
0 |
0.024 |
6 |
13 |
|
[GOL]D:304 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
11073 |
150.7 |
-0.6 |
0.483 |
2 |
0 |
0 |
0.019 |
7 |
14 |
|
[GOL]C:308 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
11433 |
138.6 |
-0.5 |
0.482 |
2 |
0 |
0 |
0.010 |
8 |
15 |
|
[EDO]B:301 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
11317 |
131.0 |
2.9 |
0.372 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
[GOL]D:306 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
11073 |
124.3 |
-0.8 |
0.431 |
2 |
0 |
0 |
0.021 |
10 |
17 |
|
[ETX]A:303 |
6 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11336 |
122.7 |
3.1 |
0.152 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[GOL]C:309 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
11433 |
112.6 |
-0.6 |
0.462 |
4 |
0 |
0 |
0.017 |
12 |
19 |
|
[GOL]D:305 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
11073 |
109.7 |
-0.3 |
0.473 |
1 |
0 |
0 |
0.009 |
13 |
20 |
|
[SO4]C:302 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
11433 |
108.4 |
-17.4 |
0.629 |
2 |
0 |
0 |
0.132 |
14 |
21 |
|
[SO4]D:302 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
11073 |
104.6 |
-16.6 |
0.696 |
5 |
0 |
0 |
0.235 |
15 |
22 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11317 |
103.4 |
-16.3 |
0.711 |
4 |
0 |
0 |
0.244 |
23 |
|
[SO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
11336 |
102.9 |
-15.9 |
0.746 |
8 |
0 |
0 |
0.244 |
Average: |
103.1 |
-16.1 |
0.729 |
6 |
0 |
0 |
0.244 |
16 |
24 |
|
[SO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
11433 |
103.1 |
-16.2 |
0.729 |
6 |
0 |
0 |
0.135 |
17 |
25 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
11433 |
95.8 |
-15.0 |
0.720 |
5 |
0 |
0 |
0.124 |
18 |
26 |
|
[SO4]B:304 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11317 |
90.3 |
-12.5 |
0.819 |
3 |
0 |
0 |
0.099 |
19 |
27 |
|
[GOL]C:305 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
11433 |
86.2 |
-0.8 |
0.407 |
0 |
0 |
0 |
0.006 |
20 |
28 |
|
[SO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
11433 |
85.7 |
-13.1 |
0.654 |
3 |
0 |
0 |
0.104 |
21 |
29 |
|
B |
6 |
3 |
11317 |
x |
A |
x,y,z |
1_555 |
12 |
4 |
11336 |
81.0 |
0.8 |
0.713 |
1 |
2 |
0 |
0.000 |
30 |
|
C |
9 |
4 |
11433 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
11433 |
80.4 |
0.6 |
0.647 |
1 |
1 |
0 |
0.000 |
31 |
|
D |
6 |
3 |
11073 |
x |
D |
x-1,y,z |
1_455 |
11 |
4 |
11073 |
76.6 |
0.7 |
0.677 |
1 |
2 |
0 |
0.000 |
32 |
|
B |
10 |
3 |
11317 |
x |
A |
x-1,y,z+1 |
1_456 |
5 |
2 |
11336 |
63.9 |
0.5 |
0.671 |
1 |
1 |
0 |
0.000 |
Average: |
75.5 |
0.7 |
0.677 |
1 |
2 |
0 |
0.000 |
22 |
33 |
|
[GOL]C:309 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11317 |
75.9 |
0.2 |
0.584 |
1 |
0 |
0 |
0.002 |
23 |
34 |
|
[EDO]D:301 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
11073 |
73.2 |
1.4 |
0.630 |
1 |
0 |
0 |
0.000 |
24 |
35 |
|
[GOL]B:305 |
5 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11317 |
67.9 |
-0.1 |
0.594 |
1 |
0 |
0 |
0.004 |
25 |
36 |
|
D |
11 |
5 |
11073 |
◊ |
[SO4]A:302 |
-x+3,y-1/2,-z+2 |
2_847 |
5 |
1 |
186 |
67.8 |
-9.3 |
0.611 |
0 |
0 |
0 |
0.117 |
26 |
37 |
|
[GOL]C:305 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
11336 |
67.5 |
0.9 |
0.666 |
2 |
0 |
0 |
0.000 |
27 |
38 |
|
[GOL]B:305 |
5 |
1 |
213 |
◊ |
D |
x-1,y,z+1 |
1_456 |
8 |
4 |
11073 |
66.4 |
-0.5 |
0.502 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[SO4]D:303 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11073 |
66.1 |
-9.2 |
0.792 |
3 |
0 |
0 |
0.132 |
29 |
40 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
11433 |
65.6 |
-9.2 |
0.786 |
2 |
0 |
0 |
0.072 |
30 |
41 |
|
[SO4]D:303 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11336 |
64.4 |
-8.8 |
0.796 |
2 |
0 |
0 |
0.120 |
42 |
|
[SO4]B:303 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11317 |
64.3 |
-8.8 |
0.795 |
2 |
0 |
0 |
0.120 |
Average: |
64.3 |
-8.8 |
0.795 |
2 |
0 |
0 |
0.120 |
31 |
43 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
11336 |
64.3 |
-9.1 |
0.629 |
1 |
0 |
0 |
0.120 |
32 |
44 |
|
[GOL]D:305 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
11336 |
61.8 |
-1.0 |
0.403 |
0 |
0 |
0 |
0.013 |
33 |
45 |
|
[GOL]C:306 |
6 |
1 |
219 |
f |
B |
-x+2,y-1/2,-z+3 |
2_748 |
8 |
4 |
11317 |
56.2 |
0.7 |
0.701 |
1 |
0 |
0 |
0.000 |
34 |
46 |
|
[ETX]A:303 |
5 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
11073 |
54.0 |
1.3 |
0.066 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
B |
6 |
4 |
11317 |
f |
[EDO]D:301 |
x-1,y,z+1 |
1_456 |
3 |
1 |
186 |
46.2 |
1.7 |
0.922 |
2 |
0 |
0 |
0.000 |
36 |
48 |
|
[SO4]C:304 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11317 |
45.5 |
-5.8 |
0.659 |
0 |
0 |
0 |
0.042 |
37 |
49 |
|
[GOL]C:306 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11433 |
39.4 |
1.3 |
0.774 |
2 |
0 |
0 |
0.000 |
38 |
50 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11073 |
37.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.087 |
51 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11336 |
36.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
52 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11433 |
36.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.087 |
53 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11317 |
35.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
36.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.087 |
39 |
54 |
|
C |
5 |
2 |
11433 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
2 |
11073 |
35.4 |
0.7 |
0.740 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
4 |
3 |
11336 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
2 |
11317 |
20.3 |
-0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
27.8 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
[SO4]B:303 |
x,y,z |
1_555 |
5 |
1 |
186 |
34.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.074 |
57 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
[SO4]D:303 |
x,y,z |
1_555 |
5 |
1 |
186 |
34.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
34.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.074 |
41 |
58 |
|
[GOL]D:306 |
3 |
1 |
219 |
f |
[SO4]A:302 |
-x+3,y-1/2,-z+2 |
2_847 |
3 |
1 |
186 |
30.3 |
-3.2 |
0.787 |
1 |
0 |
0 |
0.045 |
42 |
59 |
|
C |
3 |
2 |
11433 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
2 |
11336 |
12.0 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
[GOL]C:308 |
1 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11317 |
10.8 |
-0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
B |
1 |
1 |
11317 |
◊ |
[SO4]C:303 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
6.0 |
-0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
C |
1 |
1 |
11433 |
◊ |
[SO4]B:304 |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
188 |
1.7 |
-0.2 |
0.844 |
0 |
0 |
0 |
0.000 |
|