| ## |
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 |
336 |
83 |
12145 |
◊ |
A |
x,y,z |
1_555 |
332 |
82 |
12018 |
3221.6 |
-47.1 |
0.239 |
33 |
14 |
0 |
0.744 |
2 |
|
D |
301 |
81 |
11369 |
◊ |
C |
x,y,z |
1_555 |
296 |
79 |
11124 |
2881.6 |
-44.4 |
0.306 |
29 |
11 |
0 |
0.744 |
| Average: |
3051.6 |
-45.7 |
0.272 |
31 |
13 |
0 |
0.744 |
| 2 |
3 |
|
B |
57 |
19 |
12145 |
◊ |
B |
y,x,-z+1 |
7_556 |
58 |
19 |
12145 |
466.0 |
-6.2 |
0.501 |
2 |
0 |
0 |
0.000 |
4 |
|
D |
54 |
19 |
11369 |
◊ |
A |
x,y,z |
1_555 |
58 |
18 |
12018 |
452.1 |
-6.0 |
0.593 |
2 |
0 |
0 |
0.000 |
| Average: |
459.1 |
-6.1 |
0.547 |
2 |
0 |
0 |
0.000 |
| 3 |
5 |
|
D |
41 |
12 |
11369 |
◊ |
D |
y,x,-z |
7_555 |
41 |
12 |
11369 |
431.0 |
-3.7 |
0.653 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[F42]C:501 |
29 |
1 |
598 |
◊ |
C |
x,y,z |
1_555 |
56 |
15 |
11124 |
349.6 |
0.1 |
0.727 |
1 |
0 |
0 |
0.005 |
7 |
|
[F42]B:501 |
28 |
1 |
662 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
12145 |
347.1 |
0.3 |
0.628 |
2 |
0 |
0 |
0.005 |
8 |
|
[F42]A:501 |
26 |
1 |
666 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
12018 |
334.4 |
0.5 |
0.698 |
1 |
0 |
0 |
0.005 |
9 |
|
[F42]D:501 |
23 |
1 |
473 |
◊ |
D |
x,y,z |
1_555 |
48 |
14 |
11369 |
291.1 |
2.7 |
0.372 |
2 |
0 |
0 |
0.005 |
| Average: |
330.5 |
0.9 |
0.606 |
2 |
0 |
0 |
0.005 |
| 5 |
10 |
|
C |
42 |
15 |
11124 |
◊ |
C |
y,x,-z |
7_555 |
41 |
15 |
11124 |
337.5 |
-4.4 |
0.623 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
D |
29 |
9 |
11369 |
◊ |
A |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
25 |
12 |
12018 |
233.0 |
-0.4 |
0.701 |
4 |
5 |
0 |
0.000 |
| 7 |
12 |
|
C |
26 |
9 |
11124 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
12145 |
193.8 |
-3.2 |
0.493 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
22 |
7 |
12018 |
◊ |
A |
y,x,-z+1 |
7_556 |
23 |
7 |
12018 |
192.3 |
-3.4 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
193.1 |
-3.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
25 |
9 |
12145 |
x |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
16 |
8 |
12145 |
153.4 |
-0.5 |
0.667 |
3 |
5 |
0 |
0.000 |
| 9 |
15 |
|
[F42]B:501 |
9 |
1 |
662 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12018 |
140.1 |
-2.2 |
0.408 |
1 |
0 |
0 |
0.100 |
16 |
|
[F42]A:501 |
12 |
1 |
666 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12145 |
122.0 |
-0.9 |
0.537 |
2 |
0 |
0 |
0.100 |
17 |
|
[F42]C:501 |
10 |
1 |
598 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
11369 |
111.2 |
-2.8 |
0.342 |
2 |
0 |
0 |
0.100 |
18 |
|
[F42]D:501 |
7 |
1 |
473 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11124 |
84.5 |
0.5 |
0.352 |
1 |
0 |
0 |
0.100 |
| Average: |
114.4 |
-1.4 |
0.410 |
2 |
0 |
0 |
0.100 |
| 10 |
19 |
|
D |
15 |
6 |
11369 |
◊ |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
11 |
5 |
12145 |
109.7 |
-1.2 |
0.482 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11124 |
84.2 |
-11.3 |
0.941 |
5 |
0 |
0 |
0.170 |
| 12 |
21 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12145 |
82.7 |
-11.2 |
0.927 |
5 |
0 |
0 |
0.136 |
| 13 |
22 |
|
[SO4]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12145 |
81.2 |
-10.9 |
0.863 |
3 |
0 |
0 |
0.123 |
| 14 |
23 |
|
B |
8 |
2 |
12145 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
8 |
5 |
11124 |
76.3 |
-1.1 |
0.471 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
C |
6 |
3 |
11124 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12018 |
61.0 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
5 |
2 |
12145 |
◊ |
A |
y,x,-z+1 |
7_556 |
6 |
3 |
12018 |
57.3 |
-0.9 |
0.383 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
5 |
2 |
11369 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12145 |
41.7 |
-1.0 |
0.367 |
0 |
0 |
0 |
0.000 |
| Average: |
53.3 |
-0.9 |
0.410 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
B |
3 |
2 |
12145 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
5 |
2 |
12018 |
45.6 |
-0.9 |
0.284 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[SO4]B:503 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12018 |
34.0 |
-4.5 |
0.798 |
0 |
0 |
0 |
0.046 |
| 18 |
29 |
|
[SO4]C:502 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11369 |
33.8 |
-4.5 |
0.791 |
0 |
0 |
0 |
0.057 |
| 19 |
30 |
|
D |
2 |
2 |
11369 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
2 |
2 |
12018 |
9.9 |
-0.3 |
0.412 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
C |
1 |
1 |
11124 |
x |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
11124 |
6.9 |
0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
|