## |
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 |
84 |
26 |
22529 |
◊ |
B |
x,y,z |
1_555 |
80 |
25 |
22872 |
867.0 |
-14.6 |
0.016 |
3 |
0 |
0 |
0.243 |
2 |
|
D |
82 |
26 |
22552 |
◊ |
A |
x,y,z |
1_555 |
79 |
26 |
22859 |
865.4 |
-14.9 |
0.012 |
3 |
0 |
0 |
0.243 |
Average: |
866.2 |
-14.7 |
0.014 |
3 |
0 |
0 |
0.243 |
2 |
3 |
|
C |
86 |
29 |
22529 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
22859 |
754.4 |
-2.7 |
0.599 |
7 |
3 |
0 |
0.000 |
4 |
|
D |
93 |
33 |
22552 |
◊ |
B |
x,y,z |
1_555 |
80 |
24 |
22872 |
747.5 |
-3.9 |
0.554 |
5 |
2 |
0 |
0.000 |
Average: |
750.9 |
-3.3 |
0.577 |
6 |
3 |
0 |
0.000 |
3 |
5 |
|
A |
49 |
17 |
22859 |
◊ |
B |
x-1,y,z |
1_455 |
49 |
17 |
22872 |
369.2 |
-0.3 |
0.702 |
8 |
0 |
0 |
0.000 |
4 |
6 |
|
[6GJ]B:710 |
18 |
1 |
436 |
f |
B |
x,y,z |
1_555 |
37 |
17 |
22872 |
274.2 |
0.4 |
0.469 |
7 |
0 |
0 |
0.041 |
5 |
7 |
|
D |
36 |
12 |
22552 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
27 |
10 |
22529 |
262.6 |
-0.5 |
0.601 |
2 |
3 |
0 |
0.000 |
8 |
|
D |
25 |
9 |
22552 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
22529 |
241.4 |
-0.9 |
0.526 |
2 |
3 |
0 |
0.000 |
Average: |
252.0 |
-0.7 |
0.564 |
2 |
3 |
0 |
0.000 |
6 |
9 |
|
B |
36 |
18 |
22872 |
◊ |
A |
x,y,z |
1_555 |
34 |
18 |
22859 |
259.5 |
4.3 |
0.955 |
7 |
4 |
0 |
0.000 |
7 |
10 |
|
[6GJ]C:705 |
18 |
1 |
430 |
f |
C |
x,y,z |
1_555 |
35 |
14 |
22529 |
259.0 |
1.5 |
0.485 |
6 |
0 |
0 |
0.038 |
11 |
|
[6GJ]D:702 |
17 |
1 |
431 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
22552 |
257.8 |
1.4 |
0.486 |
6 |
0 |
0 |
0.038 |
12 |
|
[6GJ]A:706 |
18 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
34 |
15 |
22859 |
256.8 |
1.3 |
0.521 |
6 |
0 |
0 |
0.038 |
Average: |
257.9 |
1.4 |
0.497 |
6 |
0 |
0 |
0.038 |
8 |
13 |
|
[NAG]D:703 |
12 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
22 |
8 |
22552 |
163.2 |
4.0 |
0.442 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:702 |
12 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
20 |
6 |
22529 |
161.6 |
3.9 |
0.438 |
1 |
0 |
0 |
0.000 |
Average: |
162.4 |
4.0 |
0.440 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
[NAG]B:702 |
12 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
22872 |
155.4 |
3.3 |
0.347 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:702 |
12 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
22859 |
152.8 |
3.4 |
0.382 |
1 |
0 |
0 |
0.000 |
Average: |
154.1 |
3.4 |
0.365 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
A |
18 |
10 |
22859 |
◊ |
[NAG]B:701 |
x-1,y,z |
1_455 |
10 |
1 |
361 |
155.2 |
3.0 |
0.405 |
4 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:701 |
11 |
1 |
364 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
10 |
22872 |
151.7 |
2.8 |
0.349 |
4 |
0 |
0 |
0.000 |
Average: |
153.5 |
2.9 |
0.377 |
4 |
0 |
0 |
0.000 |
11 |
19 |
|
[NAG]B:703 |
13 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
25 |
9 |
22872 |
154.6 |
2.3 |
0.216 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:703 |
13 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
22859 |
140.9 |
2.3 |
0.228 |
1 |
0 |
0 |
0.000 |
Average: |
147.7 |
2.3 |
0.222 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
A |
15 |
5 |
22859 |
x |
A |
-x,y-1/2,-z |
2_545 |
22 |
5 |
22859 |
141.6 |
0.3 |
0.599 |
1 |
2 |
0 |
0.000 |
13 |
22 |
|
B |
13 |
5 |
22872 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
6 |
22872 |
129.8 |
0.2 |
0.519 |
1 |
2 |
0 |
0.000 |
14 |
23 |
|
A |
16 |
6 |
22859 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
13 |
6 |
22529 |
125.3 |
1.3 |
0.800 |
2 |
4 |
0 |
0.000 |
15 |
24 |
|
D |
12 |
4 |
22552 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
22529 |
117.0 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[NAG]C:703 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
13 |
6 |
22529 |
115.6 |
3.0 |
0.281 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]D:710 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
22552 |
107.2 |
-16.5 |
0.761 |
4 |
0 |
0 |
0.266 |
18 |
27 |
|
[NAG]A:701 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
22859 |
105.8 |
3.1 |
0.399 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]B:701 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
22872 |
101.4 |
3.0 |
0.391 |
0 |
0 |
0 |
0.000 |
Average: |
103.6 |
3.1 |
0.395 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[SO4]C:707 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
22529 |
104.4 |
-15.6 |
0.888 |
5 |
0 |
0 |
0.271 |
20 |
30 |
|
[EDO]B:709 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
22872 |
103.5 |
2.6 |
0.388 |
2 |
0 |
0 |
0.000 |
21 |
31 |
|
[SO4]A:708 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
22859 |
103.4 |
-15.4 |
0.871 |
6 |
0 |
0 |
0.262 |
22 |
32 |
|
[SO4]B:707 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
22872 |
102.3 |
-14.7 |
0.888 |
5 |
0 |
0 |
0.258 |
23 |
33 |
|
[EDO]A:710 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
22859 |
101.1 |
2.6 |
0.363 |
2 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]C:709 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
22529 |
101.0 |
2.6 |
0.388 |
2 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]D:707 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
22552 |
100.4 |
2.8 |
0.388 |
2 |
0 |
0 |
0.000 |
26 |
36 |
|
[NAG]C:701 |
8 |
1 |
357 |
cf |
C |
x,y,z |
1_555 |
14 |
4 |
22529 |
99.7 |
2.1 |
0.419 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
A |
9 |
3 |
22859 |
◊ |
[NAG]C:703 |
-x,y-1/2,-z |
2_545 |
9 |
1 |
363 |
97.1 |
-0.1 |
0.114 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[NAG]A:704 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
22859 |
97.1 |
2.1 |
0.277 |
1 |
0 |
0 |
0.000 |
39 |
|
[NAG]C:704 |
10 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
22529 |
92.8 |
2.1 |
0.257 |
1 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:704 |
9 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
22872 |
91.9 |
2.1 |
0.335 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]D:705 |
11 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
10 |
4 |
22552 |
89.9 |
2.1 |
0.251 |
1 |
0 |
0 |
0.000 |
Average: |
92.9 |
2.1 |
0.280 |
1 |
0 |
0 |
0.000 |
29 |
42 |
|
D |
10 |
4 |
22552 |
◊ |
[NAG]C:704 |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
1 |
361 |
90.1 |
2.2 |
0.381 |
1 |
0 |
0 |
0.000 |
43 |
|
[NAG]D:705 |
8 |
1 |
359 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
22529 |
89.4 |
2.2 |
0.403 |
1 |
0 |
0 |
0.000 |
Average: |
89.7 |
2.2 |
0.392 |
1 |
0 |
0 |
0.000 |
30 |
44 |
|
[EDO]C:710 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
22529 |
90.1 |
2.3 |
0.275 |
3 |
0 |
0 |
0.000 |
31 |
45 |
|
[NAG]D:704 |
11 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
11 |
6 |
22552 |
89.8 |
2.3 |
0.263 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[EDO]B:708 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
22872 |
86.3 |
2.1 |
0.255 |
4 |
0 |
0 |
0.000 |
33 |
47 |
|
[NAG]D:701 |
10 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
7 |
3 |
22552 |
86.1 |
1.5 |
0.221 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[NAG]A:703 |
9 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
22529 |
84.6 |
2.8 |
0.381 |
1 |
0 |
0 |
0.000 |
49 |
|
[NAG]B:703 |
8 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
22552 |
79.9 |
2.8 |
0.410 |
1 |
0 |
0 |
0.000 |
Average: |
82.2 |
2.8 |
0.395 |
1 |
0 |
0 |
0.000 |
35 |
50 |
|
[EDO]A:709 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22859 |
83.6 |
1.8 |
0.260 |
4 |
0 |
0 |
0.000 |
36 |
51 |
|
[EDO]D:708 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
22552 |
83.0 |
1.9 |
0.275 |
4 |
0 |
0 |
0.000 |
37 |
52 |
|
[CL]B:705 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22872 |
64.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.318 |
53 |
|
[CL]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22859 |
64.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.318 |
54 |
|
[CL]D:706 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
22552 |
64.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.318 |
55 |
|
[CL]C:708 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
22529 |
63.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.318 |
Average: |
64.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.318 |
38 |
56 |
|
[SO4]B:706 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
22872 |
56.6 |
-6.1 |
0.960 |
2 |
0 |
0 |
0.106 |
39 |
57 |
|
[SO4]C:706 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
22529 |
56.2 |
-6.3 |
0.963 |
3 |
0 |
0 |
0.116 |
40 |
58 |
|
[SO4]A:707 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22859 |
55.3 |
-6.0 |
0.950 |
3 |
0 |
0 |
0.107 |
41 |
59 |
|
[SO4]D:709 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
22552 |
55.0 |
-6.0 |
0.971 |
1 |
0 |
0 |
0.094 |
42 |
60 |
|
D |
7 |
2 |
22552 |
◊ |
[NAG]C:702 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
362 |
34.3 |
-0.8 |
0.105 |
0 |
0 |
0 |
0.000 |
61 |
|
[NAG]D:703 |
4 |
1 |
363 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
22529 |
31.0 |
-0.6 |
0.169 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
-0.7 |
0.137 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
A |
4 |
2 |
22859 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
22872 |
31.4 |
1.1 |
0.852 |
1 |
1 |
0 |
0.000 |
44 |
63 |
|
[EDO]B:708 |
1 |
1 |
185 |
f |
[6GJ]B:710 |
x,y,z |
1_555 |
3 |
1 |
436 |
17.8 |
0.8 |
0.703 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
[NAG]B:703 |
1 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22859 |
2.4 |
0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[NAG]D:704 |
1 |
1 |
361 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
22872 |
1.8 |
-0.0 |
0.248 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[NAG]A:703 |
1 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22872 |
1.0 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|