## |
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 |
190 |
53 |
14453 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
193 |
52 |
15623 |
1738.2 |
-28.3 |
0.014 |
17 |
0 |
0 |
0.275 |
2 |
2 |
|
B |
90 |
30 |
14453 |
◊ |
A |
x,y,z |
1_555 |
70 |
18 |
15623 |
713.0 |
-10.5 |
0.104 |
9 |
7 |
0 |
0.151 |
3 |
3 |
|
B |
57 |
16 |
14453 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
57 |
15 |
15623 |
561.1 |
-8.2 |
0.127 |
4 |
0 |
0 |
0.089 |
4 |
4 |
|
A |
71 |
18 |
15623 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
54 |
16 |
14453 |
540.0 |
1.1 |
0.790 |
4 |
2 |
0 |
0.009 |
5 |
5 |
|
B |
55 |
19 |
14453 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
55 |
19 |
14453 |
443.7 |
0.8 |
0.753 |
4 |
6 |
0 |
0.006 |
6 |
6 |
|
B |
36 |
11 |
14453 |
◊ |
B |
x,-y,-z+1 |
4_556 |
36 |
11 |
14453 |
303.3 |
-2.1 |
0.460 |
2 |
2 |
0 |
0.034 |
7 |
7 |
|
[TBR]A:304 |
15 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
15623 |
274.0 |
-1.8 |
0.618 |
0 |
0 |
0 |
0.018 |
8 |
8 |
|
A |
23 |
9 |
15623 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
28 |
11 |
15623 |
236.2 |
-2.5 |
0.350 |
1 |
2 |
0 |
0.000 |
9 |
9 |
|
[TBR]A:305 |
13 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
15623 |
209.7 |
-0.8 |
0.600 |
0 |
0 |
0 |
0.008 |
10 |
10 |
|
[TBR]A:301 |
10 |
1 |
531 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
15623 |
189.5 |
-1.0 |
0.605 |
0 |
0 |
0 |
0.009 |
11 |
11 |
|
[TBR]B:303 |
9 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
14453 |
166.4 |
-2.4 |
0.826 |
0 |
0 |
0 |
0.051 |
12 |
12 |
|
[TBR]A:306 |
11 |
1 |
538 |
◊ |
B |
-x,-y,z-1/2 |
2_554 |
20 |
5 |
14453 |
143.3 |
-2.2 |
0.392 |
0 |
0 |
0 |
0.019 |
13 |
13 |
|
[TBR]B:301 |
8 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
14453 |
141.9 |
-0.1 |
0.722 |
0 |
0 |
0 |
0.002 |
14 |
14 |
|
[TBR]A:306 |
9 |
1 |
538 |
f |
A |
x-1/2,-y+1/2,-z |
8_455 |
12 |
4 |
15623 |
132.3 |
-2.4 |
0.195 |
0 |
0 |
0 |
0.023 |
15 |
15 |
|
[TBR]A:302 |
9 |
1 |
534 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15623 |
131.1 |
-1.1 |
0.542 |
0 |
0 |
0 |
0.011 |
16 |
16 |
|
[TBR]B:301 |
10 |
1 |
539 |
◊ |
B |
x,-y,-z+1 |
4_556 |
15 |
5 |
14453 |
121.6 |
-0.4 |
0.655 |
0 |
0 |
0 |
0.009 |
17 |
17 |
|
[TBR]B:302 |
15 |
1 |
534 |
f |
[TBR]B:302 |
-x,y,-z+1/2 |
3_555 |
15 |
1 |
534 |
117.2 |
-0.8 |
0.791 |
0 |
0 |
0 |
0.026 |
18 |
18 |
|
[TBR]A:302 |
8 |
1 |
534 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14453 |
113.8 |
-0.7 |
0.591 |
0 |
0 |
0 |
0.007 |
19 |
19 |
|
[TBR]A:303 |
7 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
15623 |
111.7 |
-1.1 |
0.530 |
0 |
0 |
0 |
0.011 |
20 |
20 |
|
[TBR]A:305 |
8 |
1 |
536 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
12 |
3 |
15623 |
104.7 |
1.3 |
0.874 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[SO4]A:312 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15623 |
98.6 |
-15.1 |
0.865 |
6 |
0 |
0 |
0.172 |
22 |
22 |
|
[TBR]A:307 |
9 |
1 |
536 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
15623 |
97.2 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.002 |
23 |
23 |
|
[TBR]B:302 |
12 |
1 |
534 |
f |
[TBR]A:307 |
-x,y,-z+1/2 |
3_555 |
12 |
1 |
536 |
95.7 |
-0.6 |
0.705 |
0 |
0 |
0 |
0.042 |
24 |
24 |
|
[TBR]B:302 |
10 |
1 |
534 |
◊ |
B |
x,y,z |
1_555 |
24 |
4 |
14453 |
95.2 |
-1.0 |
0.522 |
0 |
0 |
0 |
0.006 |
25 |
25 |
|
[TBR]A:303 |
7 |
1 |
533 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
10 |
3 |
14453 |
92.9 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.002 |
26 |
26 |
|
[TBR]A:306 |
6 |
1 |
538 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15623 |
89.3 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
A |
11 |
4 |
15623 |
◊ |
[TBR]A:301 |
x-1/2,-y+1/2,-z |
8_455 |
9 |
1 |
531 |
88.8 |
-0.5 |
0.636 |
0 |
0 |
0 |
0.004 |
28 |
28 |
|
[ACT]A:313 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15623 |
87.6 |
-0.9 |
0.598 |
0 |
0 |
0 |
0.009 |
29 |
29 |
|
[SO4]B:307 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14453 |
86.3 |
-13.2 |
0.675 |
4 |
0 |
0 |
0.315 |
30 |
30 |
|
[TBR]A:307 |
10 |
1 |
536 |
f |
[TBR]A:307 |
-x,y,-z+1/2 |
3_555 |
10 |
1 |
536 |
82.1 |
-0.6 |
0.701 |
0 |
0 |
0 |
0.020 |
31 |
31 |
|
[TBR]A:301 |
7 |
1 |
531 |
f |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
11 |
4 |
14453 |
80.7 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.025 |
32 |
32 |
|
[TBR]B:302 |
11 |
1 |
534 |
f |
[TBR]A:307 |
x,y,z |
1_555 |
10 |
1 |
536 |
80.2 |
-0.3 |
0.862 |
0 |
0 |
0 |
0.021 |
33 |
33 |
|
[TBR]B:302 |
8 |
1 |
534 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
20 |
6 |
14453 |
75.1 |
-0.6 |
0.555 |
0 |
0 |
0 |
0.004 |
34 |
34 |
|
[EDO]A:311 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
15623 |
74.4 |
2.6 |
0.556 |
1 |
0 |
0 |
0.000 |
35 |
35 |
|
[EDO]A:311 |
4 |
1 |
187 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
13 |
6 |
14453 |
69.4 |
1.8 |
0.265 |
2 |
0 |
0 |
0.000 |
36 |
36 |
|
[TBR]A:307 |
8 |
1 |
536 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
17 |
4 |
14453 |
67.6 |
-0.5 |
0.624 |
0 |
0 |
0 |
0.003 |
37 |
37 |
|
[TBR]A:307 |
7 |
1 |
536 |
◊ |
[TBR]A:305 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
536 |
66.1 |
-0.3 |
0.737 |
0 |
0 |
0 |
0.002 |
38 |
38 |
|
[BR]A:308 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15623 |
56.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
39 |
|
[BR]B:306 |
1 |
1 |
133 |
f |
[TBR]B:301 |
x,y,z |
1_555 |
5 |
1 |
539 |
53.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.155 |
40 |
40 |
|
[TBR]A:305 |
6 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
14453 |
51.9 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.002 |
41 |
41 |
|
[BR]B:305 |
1 |
1 |
133 |
f |
[TBR]B:301 |
x,y,z |
1_555 |
5 |
1 |
539 |
50.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.146 |
42 |
42 |
|
[BR]B:304 |
1 |
1 |
133 |
f |
A |
-x,y,-z+1/2 |
3_555 |
14 |
4 |
15623 |
49.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.112 |
43 |
|
[BR]A:310 |
1 |
1 |
133 |
f |
B |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
14453 |
44.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
47.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.112 |
43 |
44 |
|
[BR]B:306 |
1 |
1 |
133 |
◊ |
B |
x,-y,-z+1 |
4_556 |
8 |
3 |
14453 |
46.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.106 |
44 |
45 |
|
A |
8 |
4 |
15623 |
f |
[BR]A:309 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
133 |
45.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.059 |
45 |
46 |
|
[BR]A:309 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
15623 |
45.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[TBR]B:302 |
4 |
1 |
534 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
8 |
2 |
15623 |
30.2 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[BR]B:304 |
1 |
1 |
133 |
◊ |
[TBR]A:307 |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
536 |
29.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.025 |
48 |
49 |
|
[BR]B:305 |
1 |
1 |
133 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
15623 |
28.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
49 |
50 |
|
[BR]A:310 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
15623 |
25.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
51 |
|
[BR]B:304 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14453 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
13.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.018 |
50 |
52 |
|
[BR]B:305 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14453 |
24.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.057 |
51 |
53 |
|
[BR]A:309 |
1 |
1 |
133 |
◊ |
[TBR]A:301 |
x,y,z |
1_555 |
4 |
1 |
531 |
23.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
54 |
|
[TBR]B:301 |
2 |
1 |
539 |
◊ |
[TBR]A:306 |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
538 |
23.6 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[BR]A:310 |
1 |
1 |
133 |
◊ |
[TBR]B:302 |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
534 |
23.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
54 |
56 |
|
[TBR]A:307 |
4 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
14453 |
23.3 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[TBR]A:307 |
4 |
1 |
536 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
15623 |
22.7 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[TBR]A:304 |
3 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14453 |
21.5 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.003 |
57 |
59 |
|
[BR]B:304 |
1 |
1 |
133 |
◊ |
[TBR]A:305 |
x,y,z |
1_555 |
2 |
1 |
536 |
20.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
60 |
|
A |
4 |
1 |
15623 |
◊ |
[SO4]B:307 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
187 |
19.8 |
-2.6 |
0.726 |
0 |
0 |
0 |
0.023 |
59 |
61 |
|
[TBR]A:307 |
3 |
1 |
536 |
◊ |
[TBR]A:305 |
x,y,z |
1_555 |
3 |
1 |
536 |
19.3 |
-0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[BR]B:305 |
1 |
1 |
133 |
◊ |
[TBR]A:306 |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
538 |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
61 |
63 |
|
B |
3 |
1 |
14453 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
2 |
1 |
14453 |
14.8 |
0.5 |
0.756 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
A |
2 |
1 |
15623 |
◊ |
[TBR]B:301 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
539 |
14.3 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.001 |
63 |
65 |
|
[TBR]B:301 |
4 |
1 |
539 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
15623 |
13.2 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.003 |
64 |
66 |
|
[BR]A:310 |
1 |
1 |
133 |
◊ |
[TBR]A:307 |
x,y,z |
1_555 |
3 |
1 |
536 |
12.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
65 |
67 |
|
A |
4 |
4 |
15623 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
4 |
4 |
15623 |
10.6 |
0.4 |
0.740 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
[TBR]B:302 |
2 |
1 |
534 |
◊ |
[TBR]A:305 |
x,y,z |
1_555 |
1 |
1 |
536 |
9.0 |
0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[BR]A:310 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14453 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
68 |
70 |
|
[TBR]A:306 |
1 |
1 |
538 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
14453 |
7.5 |
0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
69 |
71 |
|
[BR]A:310 |
1 |
1 |
133 |
◊ |
[TBR]B:302 |
x,y,z |
1_555 |
1 |
1 |
534 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
70 |
72 |
|
[BR]B:304 |
1 |
1 |
133 |
◊ |
[TBR]B:302 |
x,y,z |
1_555 |
3 |
1 |
534 |
5.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
71 |
73 |
|
[EDO]A:311 |
1 |
1 |
187 |
◊ |
[BR]A:310 |
x,y,z |
1_555 |
1 |
1 |
133 |
3.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
72 |
74 |
|
[TBR]B:303 |
1 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15623 |
3.8 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.002 |
73 |
75 |
|
[EDO]A:311 |
2 |
1 |
187 |
f |
[TBR]A:307 |
x,y,z |
1_555 |
1 |
1 |
536 |
3.6 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
74 |
76 |
|
A |
1 |
1 |
15623 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
15623 |
2.2 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[EDO]A:311 |
1 |
1 |
187 |
◊ |
[BR]B:304 |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
133 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
78 |
|
[TBR]B:302 |
1 |
1 |
534 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15623 |
0.5 |
-0.0 |
0.422 |
0 |
0 |
0 |
0.000 |
|