## |
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 |
|
D |
52 |
10 |
2641 |
◊ |
C |
x,y,z |
1_555 |
51 |
9 |
2267 |
460.7 |
-5.9 |
0.924 |
17 |
0 |
0 |
1.000 |
2 |
|
H |
52 |
10 |
2376 |
◊ |
G |
x,y,z |
1_555 |
49 |
10 |
2360 |
460.6 |
-7.4 |
0.897 |
22 |
0 |
0 |
1.000 |
3 |
|
F |
55 |
10 |
2347 |
◊ |
E |
x,y,z |
1_555 |
50 |
10 |
2361 |
459.5 |
-7.6 |
0.898 |
19 |
0 |
0 |
1.000 |
4 |
|
B |
47 |
9 |
2459 |
◊ |
A |
x,y,z |
1_555 |
47 |
8 |
2023 |
407.4 |
-6.8 |
0.923 |
16 |
0 |
0 |
1.000 |
Average: |
447.0 |
-6.9 |
0.911 |
19 |
0 |
0 |
1.000 |
2 |
5 |
|
A |
16 |
3 |
2023 |
x |
A |
-y,x-y,z |
2_555 |
15 |
3 |
2023 |
126.0 |
-5.1 |
0.633 |
2 |
0 |
0 |
0.312 |
6 |
|
C |
15 |
3 |
2267 |
x |
C |
-y,x-y-1,z |
2_545 |
16 |
3 |
2267 |
124.0 |
-4.6 |
0.620 |
2 |
0 |
0 |
0.312 |
7 |
|
G |
17 |
3 |
2360 |
x |
G |
-y-1,x-y-1,z |
2_445 |
14 |
3 |
2360 |
122.4 |
-4.7 |
0.578 |
2 |
0 |
0 |
0.312 |
8 |
|
E |
13 |
3 |
2361 |
x |
E |
-y,x-y,z |
2_555 |
13 |
3 |
2361 |
117.0 |
-3.5 |
0.628 |
2 |
0 |
0 |
0.312 |
Average: |
122.3 |
-4.5 |
0.615 |
2 |
0 |
0 |
0.312 |
3 |
9 |
|
D |
15 |
3 |
2641 |
x |
D |
-y,x-y,z |
2_555 |
13 |
3 |
2641 |
119.3 |
-3.8 |
0.551 |
2 |
0 |
0 |
0.301 |
10 |
|
B |
14 |
3 |
2459 |
x |
B |
-y,x-y-1,z |
2_545 |
14 |
3 |
2459 |
118.3 |
-4.0 |
0.590 |
2 |
0 |
0 |
0.301 |
Average: |
118.8 |
-3.9 |
0.570 |
2 |
0 |
0 |
0.301 |
4 |
11 |
|
B |
15 |
2 |
2459 |
◊ |
C |
x,y,z |
1_555 |
16 |
1 |
2267 |
116.5 |
-0.2 |
0.746 |
1 |
0 |
0 |
0.040 |
12 |
|
D |
14 |
1 |
2641 |
◊ |
A |
x,y,z |
1_555 |
17 |
1 |
2023 |
113.3 |
-1.0 |
0.815 |
0 |
0 |
0 |
0.040 |
Average: |
114.9 |
-0.6 |
0.780 |
1 |
0 |
0 |
0.040 |
5 |
13 |
|
D |
12 |
3 |
2641 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
2459 |
114.0 |
-3.2 |
0.591 |
5 |
0 |
0 |
0.126 |
6 |
14 |
|
H |
12 |
3 |
2376 |
◊ |
G |
-y-1,x-y-1,z |
2_445 |
11 |
2 |
2360 |
110.0 |
-1.6 |
0.710 |
2 |
0 |
0 |
0.091 |
15 |
|
E |
12 |
2 |
2361 |
◊ |
F |
-y,x-y,z |
2_555 |
12 |
3 |
2347 |
109.5 |
-1.5 |
0.729 |
2 |
0 |
0 |
0.091 |
16 |
|
C |
11 |
2 |
2267 |
◊ |
D |
-y,x-y-1,z |
2_545 |
14 |
3 |
2641 |
105.2 |
-1.5 |
0.739 |
2 |
0 |
0 |
0.091 |
17 |
|
B |
13 |
3 |
2459 |
◊ |
A |
-y,x-y,z |
2_555 |
11 |
2 |
2023 |
103.1 |
-1.3 |
0.778 |
2 |
0 |
0 |
0.091 |
Average: |
106.9 |
-1.5 |
0.739 |
2 |
0 |
0 |
0.091 |
7 |
18 |
|
D |
13 |
4 |
2641 |
x |
D |
-y,x-y-1,z |
2_545 |
12 |
3 |
2641 |
104.0 |
-4.8 |
0.471 |
0 |
0 |
0 |
0.183 |
19 |
|
H |
11 |
3 |
2376 |
x |
H |
-y-1,x-y-1,z |
2_445 |
11 |
3 |
2376 |
99.8 |
-4.3 |
0.465 |
0 |
0 |
0 |
0.183 |
20 |
|
B |
10 |
3 |
2459 |
x |
B |
-y,x-y,z |
2_555 |
13 |
4 |
2459 |
94.2 |
-4.4 |
0.470 |
0 |
0 |
0 |
0.183 |
21 |
|
F |
12 |
4 |
2347 |
x |
F |
-y,x-y,z |
2_555 |
12 |
3 |
2347 |
93.1 |
-3.8 |
0.515 |
0 |
0 |
0 |
0.183 |
Average: |
97.8 |
-4.3 |
0.480 |
0 |
0 |
0 |
0.183 |
8 |
22 |
|
C |
9 |
2 |
2267 |
◊ |
D |
-y,x-y,z |
2_555 |
13 |
3 |
2641 |
93.3 |
-3.1 |
0.585 |
0 |
0 |
0 |
0.140 |
23 |
|
B |
13 |
3 |
2459 |
◊ |
A |
-y,x-y-1,z |
2_545 |
9 |
2 |
2023 |
93.2 |
-3.0 |
0.634 |
0 |
0 |
0 |
0.140 |
Average: |
93.3 |
-3.0 |
0.610 |
0 |
0 |
0 |
0.140 |
9 |
24 |
|
D |
11 |
1 |
2641 |
◊ |
G |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
14 |
1 |
2360 |
85.1 |
2.0 |
0.914 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
11 |
1 |
2459 |
◊ |
E |
x,y,z |
1_555 |
14 |
1 |
2361 |
84.7 |
1.9 |
0.911 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
14 |
1 |
2267 |
◊ |
H |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
13 |
1 |
2376 |
82.6 |
1.7 |
0.904 |
0 |
0 |
0 |
0.000 |
27 |
|
F |
13 |
1 |
2347 |
◊ |
A |
x,y,z |
1_555 |
14 |
1 |
2023 |
81.6 |
1.6 |
0.921 |
0 |
0 |
0 |
0.000 |
Average: |
83.5 |
1.8 |
0.912 |
0 |
0 |
0 |
0.000 |
10 |
28 |
|
F |
11 |
1 |
2347 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
2459 |
81.5 |
3.5 |
0.947 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
11 |
1 |
2641 |
◊ |
H |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
12 |
1 |
2376 |
81.4 |
3.6 |
0.942 |
0 |
0 |
0 |
0.000 |
Average: |
81.5 |
3.5 |
0.945 |
0 |
0 |
0 |
0.000 |
11 |
30 |
|
H |
10 |
1 |
2376 |
◊ |
E |
x,y,z |
1_555 |
10 |
1 |
2361 |
74.5 |
1.5 |
0.835 |
0 |
0 |
0 |
0.000 |
31 |
|
F |
8 |
1 |
2347 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
2360 |
63.1 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
Average: |
68.8 |
1.0 |
0.784 |
0 |
0 |
0 |
0.000 |
12 |
32 |
|
G |
9 |
1 |
2360 |
◊ |
E |
x,y,z |
1_555 |
10 |
1 |
2361 |
63.7 |
0.8 |
0.858 |
0 |
0 |
0 |
0.000 |
13 |
33 |
|
[SO4]F:101 |
5 |
1 |
185 |
fx |
[SO4]F:101 |
-y,x-y,z |
2_555 |
5 |
1 |
185 |
55.0 |
-12.0 |
0.993 |
0 |
0 |
0 |
0.368 |
14 |
34 |
|
[SO4]F:101 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
2347 |
44.6 |
-5.2 |
0.815 |
1 |
0 |
0 |
0.173 |
15 |
35 |
|
F |
8 |
2 |
2347 |
◊ |
[SO4]F:101 |
-y,x-y,z |
2_555 |
4 |
1 |
185 |
44.1 |
-5.1 |
0.821 |
1 |
0 |
0 |
0.170 |
16 |
36 |
|
[SO4]F:101 |
4 |
1 |
185 |
◊ |
F |
-y,x-y,z |
2_555 |
8 |
2 |
2347 |
44.0 |
-5.1 |
0.826 |
1 |
0 |
0 |
0.171 |
17 |
37 |
|
[SO4]B:102 |
5 |
1 |
185 |
fx |
[SO4]B:102 |
-y,x-y,z |
2_555 |
5 |
1 |
185 |
41.3 |
-8.9 |
0.993 |
0 |
0 |
0 |
0.289 |
18 |
38 |
|
[SO4]B:102 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
2459 |
39.6 |
-4.0 |
0.841 |
1 |
0 |
0 |
0.145 |
19 |
39 |
|
[SO4]B:102 |
4 |
1 |
185 |
◊ |
B |
-y,x-y,z |
2_555 |
8 |
2 |
2459 |
39.4 |
-4.2 |
0.808 |
2 |
0 |
0 |
0.164 |
20 |
40 |
|
B |
8 |
2 |
2459 |
◊ |
[SO4]B:102 |
-y,x-y,z |
2_555 |
5 |
1 |
185 |
37.0 |
-3.7 |
0.826 |
1 |
0 |
0 |
0.136 |
21 |
41 |
|
F |
6 |
2 |
2347 |
◊ |
A |
-y,x-y-1,z |
2_545 |
2 |
1 |
2023 |
31.7 |
-1.5 |
0.489 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
2 |
1 |
2267 |
◊ |
H |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
6 |
2 |
2376 |
30.5 |
-1.5 |
0.470 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
-1.5 |
0.480 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
[SO4]A:101 |
3 |
1 |
185 |
f |
A |
-y,x-y,z |
2_555 |
5 |
2 |
2023 |
30.6 |
-4.4 |
0.780 |
0 |
0 |
0 |
0.230 |
23 |
44 |
|
A |
7 |
2 |
2023 |
◊ |
[SO4]A:101 |
-y,x-y,z |
2_555 |
3 |
1 |
185 |
30.4 |
-4.4 |
0.818 |
0 |
0 |
0 |
0.229 |
24 |
45 |
|
[SO4]A:101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
2023 |
30.3 |
-4.4 |
0.821 |
0 |
0 |
0 |
0.229 |
25 |
46 |
|
[SO4]B:101 |
3 |
1 |
185 |
f |
B |
-y,x-y-1,z |
2_545 |
6 |
2 |
2459 |
26.0 |
-3.8 |
0.764 |
0 |
0 |
0 |
0.234 |
26 |
47 |
|
[SO4]B:101 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
2459 |
25.6 |
-3.8 |
0.762 |
0 |
0 |
0 |
0.233 |
27 |
48 |
|
B |
6 |
2 |
2459 |
◊ |
[SO4]B:101 |
-y,x-y-1,z |
2_545 |
3 |
1 |
185 |
25.6 |
-3.8 |
0.762 |
0 |
0 |
0 |
0.232 |
28 |
49 |
|
F |
2 |
1 |
2347 |
◊ |
H |
-y-1,x-y-1,z |
2_445 |
4 |
1 |
2376 |
16.6 |
-0.7 |
0.494 |
0 |
0 |
0 |
0.000 |
50 |
|
F |
2 |
1 |
2347 |
◊ |
H |
-y,x-y,z |
2_555 |
1 |
1 |
2376 |
8.0 |
-0.8 |
0.310 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-0.8 |
0.402 |
0 |
0 |
0 |
0.000 |
29 |
51 |
|
H |
3 |
2 |
2376 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
2347 |
16.4 |
-1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
C |
4 |
1 |
2267 |
x |
C |
-y,x-y,z |
2_555 |
1 |
1 |
2267 |
15.6 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.036 |
53 |
|
A |
1 |
1 |
2023 |
x |
A |
-y,x-y-1,z |
2_545 |
4 |
1 |
2023 |
15.0 |
-0.8 |
0.426 |
0 |
0 |
0 |
0.036 |
Average: |
15.3 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.036 |
31 |
54 |
|
C |
2 |
1 |
2267 |
◊ |
G |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
2 |
1 |
2360 |
13.6 |
-1.3 |
0.412 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
2 |
1 |
2361 |
◊ |
A |
-y,x-y-1,z |
2_545 |
2 |
1 |
2023 |
12.3 |
-1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
Average: |
13.0 |
-1.3 |
0.418 |
0 |
0 |
0 |
0.000 |
32 |
56 |
|
A |
3 |
2 |
2023 |
◊ |
E |
-y,x-y,z |
2_555 |
1 |
1 |
2361 |
11.9 |
-1.2 |
0.374 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
3 |
2 |
2267 |
◊ |
G |
x+2/3,y+1/3,z+1/3 |
4_555 |
1 |
1 |
2360 |
11.2 |
-1.2 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
-1.2 |
0.369 |
0 |
0 |
0 |
0.000 |
33 |
58 |
|
D |
2 |
2 |
2641 |
◊ |
B |
-y,x-y-1,z |
2_545 |
2 |
2 |
2459 |
9.8 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
2 |
2 |
2641 |
◊ |
B |
-y,x-y,z |
2_555 |
2 |
2 |
2459 |
8.4 |
-0.9 |
0.403 |
0 |
0 |
0 |
0.000 |
Average: |
9.1 |
-1.0 |
0.401 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
[SO4]B:102 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2023 |
3.4 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.002 |
35 |
61 |
|
G |
2 |
1 |
2360 |
x |
G |
-y,x-y,z |
2_555 |
1 |
1 |
2360 |
3.3 |
-0.2 |
0.388 |
0 |
0 |
0 |
0.000 |
62 |
|
E |
1 |
1 |
2361 |
x |
E |
-y-1,x-y-1,z |
2_445 |
1 |
1 |
2361 |
1.9 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.2 |
0.365 |
0 |
0 |
0 |
0.000 |
36 |
63 |
|
[SO4]B:102 |
1 |
1 |
185 |
◊ |
A |
-y,x-y,z |
2_555 |
1 |
1 |
2023 |
2.7 |
-0.1 |
0.784 |
0 |
0 |
0 |
0.001 |
37 |
64 |
|
D |
1 |
1 |
2641 |
◊ |
[SO4]B:101 |
-y,x-y-1,z |
2_545 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
[SO4]B:101 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2641 |
0.8 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
39 |
66 |
|
[SO4]B:101 |
1 |
1 |
185 |
◊ |
D |
-y,x-y-1,z |
2_545 |
1 |
1 |
2641 |
0.7 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.003 |
40 |
67 |
|
[SO4]F:101 |
1 |
1 |
185 |
◊ |
E |
-y,x-y,z |
2_555 |
1 |
1 |
2361 |
0.2 |
-0.0 |
0.743 |
0 |
0 |
0 |
0.000 |
|