| ## |
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 |
305 |
71 |
17240 |
◊ |
A |
x,y,z |
1_555 |
300 |
72 |
17233 |
2831.4 |
-25.5 |
0.116 |
49 |
4 |
0 |
0.896 |
2 |
|
C |
295 |
69 |
17222 |
◊ |
B |
x,y,z |
1_555 |
287 |
68 |
17292 |
2741.9 |
-25.1 |
0.121 |
45 |
8 |
0 |
0.896 |
| Average: |
2786.6 |
-25.3 |
0.118 |
47 |
6 |
0 |
0.896 |
| 2 |
3 |
|
B |
296 |
73 |
17292 |
◊ |
A |
x,y,z |
1_555 |
294 |
70 |
17233 |
2684.0 |
-25.7 |
0.097 |
39 |
10 |
0 |
0.987 |
4 |
|
D |
290 |
71 |
17240 |
◊ |
C |
x,y,z |
1_555 |
297 |
72 |
17222 |
2677.8 |
-26.1 |
0.088 |
44 |
9 |
0 |
0.987 |
| Average: |
2680.9 |
-25.9 |
0.092 |
42 |
10 |
0 |
0.987 |
| 3 |
5 |
|
C |
43 |
12 |
17222 |
◊ |
C |
-x,-y,z |
2_555 |
43 |
12 |
17222 |
414.7 |
-2.3 |
0.476 |
14 |
2 |
0 |
0.142 |
6 |
|
B |
42 |
12 |
17292 |
◊ |
B |
-x,-y,z |
2_555 |
42 |
12 |
17292 |
407.9 |
-2.9 |
0.414 |
14 |
2 |
0 |
0.142 |
| Average: |
411.3 |
-2.6 |
0.445 |
14 |
2 |
0 |
0.142 |
| 4 |
7 |
|
C |
42 |
12 |
17222 |
◊ |
B |
-x,-y,z |
2_555 |
44 |
12 |
17292 |
393.3 |
-3.4 |
0.369 |
0 |
0 |
0 |
0.053 |
| 5 |
8 |
|
C |
26 |
7 |
17222 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
17233 |
256.8 |
-0.6 |
0.586 |
4 |
4 |
0 |
0.029 |
9 |
|
D |
24 |
8 |
17240 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
17292 |
253.6 |
-1.0 |
0.529 |
4 |
4 |
0 |
0.029 |
| Average: |
255.2 |
-0.8 |
0.557 |
4 |
4 |
0 |
0.029 |
| 6 |
10 |
|
D |
30 |
9 |
17240 |
◊ |
A |
-x,-y+1,z |
2_565 |
29 |
11 |
17233 |
250.6 |
-0.1 |
0.538 |
4 |
0 |
0 |
0.022 |
| 7 |
11 |
|
D |
14 |
4 |
17240 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
8 |
17292 |
164.6 |
0.0 |
0.653 |
2 |
3 |
0 |
0.010 |
| 8 |
12 |
|
[AZA]A:4320 |
11 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
17233 |
139.3 |
2.4 |
0.385 |
6 |
0 |
0 |
0.008 |
13 |
|
[AZA]D:3320 |
11 |
1 |
276 |
◊ |
D |
x,y,z |
1_555 |
18 |
9 |
17240 |
139.2 |
2.5 |
0.370 |
6 |
0 |
0 |
0.008 |
14 |
|
[AZA]C:2320 |
11 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
17222 |
137.0 |
2.5 |
0.379 |
6 |
0 |
0 |
0.008 |
15 |
|
[AZA]B:1320 |
11 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
17292 |
135.8 |
2.4 |
0.362 |
6 |
0 |
0 |
0.008 |
| Average: |
137.8 |
2.4 |
0.374 |
6 |
0 |
0 |
0.008 |
| 9 |
16 |
|
A |
13 |
3 |
17233 |
◊ |
A |
-x,-y+1,z |
2_565 |
13 |
3 |
17233 |
137.6 |
2.7 |
0.910 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
A |
22 |
7 |
17233 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
7 |
17233 |
128.5 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
C |
16 |
4 |
17222 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
3 |
17240 |
118.5 |
-1.3 |
0.375 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
D |
12 |
6 |
17240 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
7 |
17240 |
91.6 |
1.5 |
0.760 |
1 |
1 |
0 |
0.000 |
| 13 |
20 |
|
[AZA]A:4320 |
8 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17292 |
79.6 |
0.6 |
0.102 |
2 |
0 |
0 |
0.100 |
21 |
|
[AZA]C:2320 |
7 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17240 |
78.5 |
0.5 |
0.142 |
1 |
0 |
0 |
0.100 |
22 |
|
[AZA]D:3320 |
7 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
17222 |
78.4 |
0.5 |
0.139 |
2 |
0 |
0 |
0.100 |
23 |
|
[AZA]B:1320 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17233 |
77.9 |
0.6 |
0.173 |
2 |
0 |
0 |
0.100 |
| Average: |
78.6 |
0.6 |
0.139 |
2 |
0 |
0 |
0.100 |
| 14 |
24 |
|
A |
12 |
3 |
17233 |
f |
[SO4]A:502 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
184 |
60.2 |
-8.4 |
0.658 |
2 |
0 |
0 |
0.328 |
| 15 |
25 |
|
[SO4]D:503 |
5 |
1 |
185 |
f |
[SO4]D:503 |
-x,-y+1,z |
2_565 |
5 |
1 |
185 |
56.8 |
-12.7 |
0.993 |
0 |
0 |
0 |
0.225 |
| 16 |
26 |
|
[SO4]A:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17233 |
52.1 |
-5.8 |
0.917 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[SO4]A:504 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17222 |
40.8 |
-3.4 |
0.977 |
2 |
0 |
0 |
0.019 |
| 18 |
28 |
|
[SO4]B:501 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17240 |
40.3 |
-3.3 |
0.978 |
2 |
0 |
0 |
0.019 |
| 19 |
29 |
|
[SO4]B:501 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
17292 |
39.7 |
-3.4 |
0.985 |
3 |
0 |
0 |
0.094 |
| 20 |
30 |
|
[SO4]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
17233 |
39.5 |
-3.6 |
0.982 |
2 |
0 |
0 |
0.160 |
| 21 |
31 |
|
[SO4]D:503 |
4 |
1 |
185 |
◊ |
A |
-x,-y+1,z |
2_565 |
9 |
5 |
17233 |
38.1 |
-4.1 |
0.748 |
1 |
0 |
0 |
0.159 |
| 22 |
32 |
|
[SO4]D:503 |
4 |
1 |
185 |
◊ |
D |
-x,-y+1,z |
2_565 |
4 |
2 |
17240 |
36.2 |
-2.3 |
0.974 |
2 |
0 |
0 |
0.038 |
| 23 |
33 |
|
B |
8 |
4 |
17292 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
5 |
17222 |
35.2 |
0.7 |
0.766 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[SO4]D:503 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17240 |
35.1 |
-2.2 |
0.974 |
2 |
0 |
0 |
0.037 |
| 25 |
35 |
|
[SO4]D:503 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
17233 |
34.6 |
-3.7 |
0.773 |
1 |
0 |
0 |
0.148 |
| 26 |
36 |
|
B |
2 |
1 |
17292 |
◊ |
[SO4]A:502 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
29.5 |
-2.4 |
0.982 |
1 |
0 |
0 |
0.043 |
| 27 |
37 |
|
[SO4]A:502 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17292 |
13.6 |
-1.4 |
0.874 |
0 |
0 |
0 |
0.012 |
| 28 |
38 |
|
D |
1 |
1 |
17240 |
◊ |
[SO4]B:501 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
183 |
6.2 |
-0.7 |
0.875 |
0 |
0 |
0 |
0.005 |
| 29 |
39 |
|
D |
1 |
1 |
17240 |
◊ |
D |
-x,-y+1,z |
2_565 |
1 |
1 |
17240 |
5.7 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
D |
1 |
1 |
17240 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
17233 |
0.4 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|