## |
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 |
|
B |
119 |
29 |
17073 |
◊ |
A |
x,y,z |
1_555 |
117 |
30 |
17116 |
1072.9 |
-15.2 |
0.030 |
8 |
4 |
0 |
0.421 |
2 |
|
E |
99 |
25 |
17385 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
101 |
24 |
17578 |
886.1 |
-18.7 |
0.003 |
4 |
0 |
0 |
0.421 |
Average: |
979.5 |
-17.0 |
0.016 |
6 |
2 |
0 |
0.421 |
2 |
3 |
|
F |
98 |
24 |
17665 |
◊ |
D |
x,y,z |
1_555 |
95 |
24 |
17297 |
866.7 |
-18.8 |
0.002 |
4 |
0 |
0 |
0.183 |
3 |
4 |
|
D |
73 |
23 |
17297 |
◊ |
E |
x-1,y,z |
1_455 |
73 |
25 |
17385 |
692.3 |
1.4 |
0.782 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
67 |
22 |
17578 |
◊ |
A |
x,y,z |
1_555 |
75 |
26 |
17116 |
574.7 |
1.9 |
0.787 |
6 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
59 |
17 |
17073 |
◊ |
A |
x-1/2,-y-1/2,-z+2 |
4_447 |
55 |
17 |
17116 |
509.0 |
-2.8 |
0.434 |
8 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
41 |
15 |
17297 |
◊ |
C |
-x-1,y-1/2,-z+3/2 |
3_446 |
40 |
11 |
17578 |
385.0 |
1.7 |
0.788 |
9 |
2 |
0 |
0.000 |
7 |
8 |
|
D |
33 |
10 |
17297 |
◊ |
C |
x-1,y,z |
1_455 |
26 |
9 |
17578 |
278.3 |
-0.4 |
0.575 |
4 |
6 |
0 |
0.009 |
8 |
9 |
|
F |
30 |
10 |
17665 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
6 |
17578 |
264.9 |
-3.7 |
0.174 |
3 |
1 |
0 |
0.029 |
10 |
|
E |
21 |
6 |
17385 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
17073 |
245.7 |
-4.1 |
0.106 |
2 |
0 |
0 |
0.029 |
Average: |
255.3 |
-3.9 |
0.140 |
3 |
1 |
0 |
0.029 |
9 |
11 |
|
D |
35 |
11 |
17297 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
17116 |
257.2 |
0.5 |
0.698 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
23 |
6 |
17073 |
◊ |
F |
-x-1,y-1/2,-z+3/2 |
3_446 |
28 |
6 |
17665 |
245.8 |
0.5 |
0.682 |
5 |
8 |
0 |
0.008 |
11 |
13 |
|
D |
38 |
13 |
17297 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
17073 |
245.2 |
1.0 |
0.745 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
21 |
7 |
17073 |
◊ |
D |
-x-1,y-1/2,-z+3/2 |
3_446 |
27 |
10 |
17297 |
243.8 |
-3.1 |
0.186 |
0 |
0 |
0 |
0.009 |
13 |
15 |
|
E |
27 |
8 |
17385 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
17116 |
241.9 |
1.0 |
0.735 |
6 |
9 |
0 |
0.008 |
14 |
16 |
|
A |
22 |
6 |
17116 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
26 |
11 |
17578 |
238.0 |
-3.5 |
0.168 |
3 |
1 |
0 |
0.014 |
15 |
17 |
|
A |
24 |
9 |
17116 |
◊ |
F |
-x-1,y-1/2,-z+3/2 |
3_446 |
22 |
6 |
17665 |
230.6 |
-3.2 |
0.199 |
3 |
2 |
0 |
0.027 |
18 |
|
E |
26 |
10 |
17385 |
◊ |
D |
-x-1,y-1/2,-z+3/2 |
3_446 |
22 |
6 |
17297 |
227.5 |
-4.0 |
0.127 |
2 |
0 |
0 |
0.027 |
Average: |
229.0 |
-3.6 |
0.163 |
3 |
1 |
0 |
0.027 |
16 |
19 |
|
E |
31 |
11 |
17385 |
◊ |
D |
x,y,z |
1_555 |
23 |
4 |
17297 |
223.2 |
0.7 |
0.670 |
3 |
0 |
0 |
0.000 |
17 |
20 |
|
F |
25 |
7 |
17665 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
22 |
6 |
17073 |
185.1 |
-0.1 |
0.612 |
1 |
1 |
0 |
0.000 |
18 |
21 |
|
[GOL]E:1 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
26 |
10 |
17385 |
149.0 |
-0.5 |
0.499 |
3 |
0 |
0 |
0.037 |
19 |
22 |
|
F |
16 |
7 |
17665 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
6 |
17385 |
139.9 |
-0.1 |
0.619 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
F |
16 |
3 |
17665 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
17385 |
132.1 |
-0.9 |
0.425 |
0 |
1 |
0 |
0.000 |
21 |
24 |
|
[GOL]C:437 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
17578 |
125.6 |
-0.5 |
0.509 |
2 |
0 |
0 |
0.029 |
22 |
25 |
|
[GOL]C:1 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
17578 |
123.5 |
-0.6 |
0.467 |
2 |
0 |
0 |
0.030 |
23 |
26 |
|
[GOL]C:436 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
17578 |
117.7 |
-0.5 |
0.495 |
3 |
0 |
0 |
0.038 |
24 |
27 |
|
[SO4]F:14 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
20 |
10 |
17665 |
113.0 |
-17.6 |
0.703 |
6 |
0 |
0 |
0.180 |
25 |
28 |
|
[SO4]D:7 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
17297 |
111.8 |
-18.1 |
0.488 |
7 |
0 |
0 |
0.189 |
26 |
29 |
|
[SO4]E:13 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
17385 |
106.8 |
-17.0 |
0.580 |
7 |
0 |
0 |
0.412 |
27 |
30 |
|
[GOL]A:437 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
17073 |
106.2 |
-0.6 |
0.455 |
3 |
0 |
0 |
0.027 |
31 |
|
[GOL]A:436 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17116 |
104.4 |
-0.5 |
0.469 |
4 |
0 |
0 |
0.027 |
Average: |
105.3 |
-0.5 |
0.462 |
4 |
0 |
0 |
0.027 |
28 |
32 |
|
[SO4]B:5 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
17073 |
105.7 |
-16.6 |
0.514 |
4 |
0 |
0 |
0.120 |
29 |
33 |
|
[SO4]A:1 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17116 |
101.9 |
-14.4 |
0.816 |
3 |
0 |
0 |
0.103 |
30 |
34 |
|
[SO4]A:3 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
17116 |
101.3 |
-16.8 |
0.487 |
6 |
0 |
0 |
0.127 |
31 |
35 |
|
[GOL]A:439 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
17116 |
91.4 |
-1.3 |
0.319 |
1 |
0 |
0 |
0.011 |
32 |
36 |
|
[GOL]A:438 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17116 |
87.4 |
0.1 |
0.580 |
2 |
0 |
0 |
0.005 |
33 |
37 |
|
[SO4]B:10 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17073 |
87.4 |
-13.3 |
0.667 |
3 |
0 |
0 |
0.096 |
34 |
38 |
|
[SO4]B:4 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17073 |
85.3 |
-12.2 |
0.796 |
1 |
0 |
0 |
0.083 |
35 |
39 |
|
[GOL]A:440 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17116 |
85.1 |
0.4 |
0.627 |
3 |
0 |
0 |
0.006 |
36 |
40 |
|
[GOL]C:438 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17578 |
84.2 |
-0.3 |
0.523 |
3 |
0 |
0 |
0.033 |
37 |
41 |
|
[SO4]D:8 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17297 |
83.7 |
-13.2 |
0.637 |
4 |
0 |
0 |
0.133 |
38 |
42 |
|
[SO4]D:11 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17297 |
81.9 |
-11.5 |
0.697 |
3 |
0 |
0 |
0.114 |
39 |
43 |
|
[SO4]B:6 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
17073 |
79.0 |
-10.7 |
0.867 |
4 |
0 |
0 |
0.082 |
40 |
44 |
|
[GOL]A:438 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
17073 |
72.8 |
-0.8 |
0.391 |
0 |
0 |
0 |
0.005 |
41 |
45 |
|
[SO4]A:15 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17116 |
69.8 |
-9.3 |
0.710 |
1 |
0 |
0 |
0.064 |
42 |
46 |
|
[SO4]A:15 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
17297 |
69.5 |
-8.7 |
0.849 |
1 |
0 |
0 |
0.004 |
43 |
47 |
|
[GOL]C:1 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
17116 |
60.4 |
0.1 |
0.574 |
1 |
0 |
0 |
0.000 |
44 |
48 |
|
[SO4]D:9 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17297 |
59.9 |
-8.5 |
0.673 |
2 |
0 |
0 |
0.084 |
45 |
49 |
|
[SO4]B:2 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17073 |
56.1 |
-8.2 |
0.708 |
2 |
0 |
0 |
0.059 |
46 |
50 |
|
[SO4]D:8 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
17665 |
51.1 |
-6.7 |
0.609 |
1 |
0 |
0 |
0.063 |
47 |
51 |
|
[GOL]A:436 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
17073 |
47.5 |
1.1 |
0.766 |
2 |
0 |
0 |
0.000 |
52 |
|
[GOL]A:437 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
17116 |
45.4 |
1.0 |
0.757 |
2 |
0 |
0 |
0.000 |
Average: |
46.4 |
1.0 |
0.761 |
2 |
0 |
0 |
0.000 |
48 |
53 |
|
[SO4]D:9 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
17665 |
46.5 |
-5.7 |
0.724 |
1 |
0 |
0 |
0.054 |
49 |
54 |
|
[SO4]B:2 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
17116 |
44.8 |
-4.8 |
0.888 |
2 |
0 |
0 |
0.037 |
50 |
55 |
|
[GOL]A:439 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17073 |
44.0 |
-0.6 |
0.343 |
0 |
0 |
0 |
0.004 |
51 |
56 |
|
[SO4]B:2 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
17385 |
36.6 |
-4.1 |
0.881 |
1 |
0 |
0 |
0.013 |
52 |
57 |
|
[GOL]A:439 |
4 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
17385 |
34.3 |
-0.3 |
0.404 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[GOL]A:439 |
4 |
1 |
219 |
f |
[SO4]B:2 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.7 |
-3.3 |
0.803 |
2 |
0 |
0 |
0.027 |
54 |
59 |
|
[GOL]A:440 |
2 |
1 |
219 |
f |
[SO4]A:3 |
x,y,z |
1_555 |
4 |
1 |
185 |
23.7 |
-2.0 |
0.833 |
1 |
0 |
0 |
0.016 |
55 |
60 |
|
[SO4]B:6 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17297 |
22.3 |
-2.7 |
0.897 |
1 |
0 |
0 |
0.001 |
56 |
61 |
|
B |
2 |
2 |
17073 |
x |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
2 |
1 |
17073 |
14.8 |
0.4 |
0.635 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[GOL]A:437 |
2 |
1 |
219 |
◊ |
[GOL]A:436 |
x,y,z |
1_555 |
1 |
1 |
220 |
8.0 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.002 |
58 |
63 |
|
E |
3 |
2 |
17385 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17578 |
6.1 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
B |
1 |
1 |
17073 |
◊ |
[SO4]D:9 |
-x-1,y-1/2,-z+3/2 |
3_446 |
1 |
1 |
185 |
4.6 |
-0.5 |
0.796 |
0 |
0 |
0 |
0.001 |
60 |
65 |
|
B |
1 |
1 |
17073 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
17116 |
3.4 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
61 |
66 |
|
[SO4]A:1 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17297 |
2.3 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
|