## |
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 |
419 |
105 |
21198 |
◊ |
A |
x,y,z |
1_555 |
414 |
106 |
21207 |
4106.7 |
-40.9 |
0.028 |
49 |
29 |
0 |
0.491 |
2 |
|
D |
414 |
106 |
21099 |
◊ |
B |
x,y,z |
1_555 |
414 |
105 |
21156 |
4087.3 |
-43.7 |
0.020 |
48 |
28 |
0 |
0.491 |
Average: |
4097.0 |
-42.3 |
0.024 |
49 |
29 |
0 |
0.491 |
2 |
3 |
|
D |
190 |
51 |
21099 |
◊ |
C |
x,y,z |
1_555 |
189 |
50 |
21198 |
1851.0 |
-5.2 |
0.638 |
34 |
14 |
0 |
0.255 |
4 |
|
B |
189 |
50 |
21156 |
◊ |
A |
x,y,z |
1_555 |
192 |
50 |
21207 |
1837.7 |
-6.0 |
0.605 |
33 |
14 |
0 |
0.255 |
Average: |
1844.4 |
-5.6 |
0.621 |
34 |
14 |
0 |
0.255 |
3 |
5 |
|
C |
143 |
38 |
21198 |
◊ |
B |
x,y,z |
1_555 |
144 |
37 |
21156 |
1359.5 |
-4.7 |
0.569 |
22 |
12 |
0 |
0.211 |
6 |
|
D |
144 |
37 |
21099 |
◊ |
A |
x,y,z |
1_555 |
143 |
39 |
21207 |
1355.7 |
-5.4 |
0.519 |
21 |
12 |
0 |
0.211 |
Average: |
1357.6 |
-5.0 |
0.544 |
22 |
12 |
0 |
0.211 |
4 |
7 |
|
C |
32 |
13 |
21198 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
32 |
12 |
21099 |
253.1 |
-1.3 |
0.525 |
1 |
2 |
0 |
0.000 |
5 |
8 |
|
A |
33 |
12 |
21207 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
11 |
21099 |
214.2 |
2.5 |
0.856 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
29 |
9 |
21099 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
8 |
21207 |
207.8 |
-1.2 |
0.525 |
1 |
0 |
0 |
0.000 |
10 |
|
C |
30 |
8 |
21198 |
◊ |
B |
x,y-1,z |
1_545 |
30 |
9 |
21156 |
207.4 |
-1.1 |
0.533 |
2 |
1 |
0 |
0.000 |
Average: |
207.6 |
-1.2 |
0.529 |
2 |
1 |
0 |
0.000 |
7 |
11 |
|
[XYP]D:505 |
10 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
21099 |
163.6 |
-1.9 |
0.789 |
2 |
0 |
0 |
0.036 |
8 |
12 |
|
[XYP]B:504 |
10 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
21156 |
163.0 |
-3.1 |
0.700 |
3 |
0 |
0 |
0.049 |
9 |
13 |
|
[XYP]C:501 |
10 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
21198 |
159.3 |
-3.9 |
0.697 |
4 |
0 |
0 |
0.065 |
10 |
14 |
|
[XLS]A:503 |
10 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
21207 |
154.2 |
-1.0 |
0.314 |
11 |
0 |
0 |
0.150 |
15 |
|
[XLS]D:504 |
10 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
36 |
16 |
21099 |
152.6 |
-0.9 |
0.293 |
11 |
0 |
0 |
0.150 |
16 |
|
[XLS]B:503 |
10 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
21156 |
152.2 |
-0.8 |
0.312 |
10 |
0 |
0 |
0.150 |
17 |
|
[XLS]C:504 |
10 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
39 |
16 |
21198 |
150.8 |
-0.7 |
0.338 |
11 |
0 |
0 |
0.150 |
Average: |
152.4 |
-0.9 |
0.314 |
11 |
0 |
0 |
0.150 |
11 |
18 |
|
B |
17 |
5 |
21156 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
7 |
21198 |
139.4 |
0.8 |
0.737 |
4 |
0 |
0 |
0.000 |
19 |
|
D |
17 |
5 |
21099 |
◊ |
A |
x,y-1,z-1 |
1_544 |
13 |
5 |
21207 |
115.7 |
0.2 |
0.636 |
1 |
0 |
0 |
0.000 |
Average: |
127.5 |
0.5 |
0.687 |
3 |
0 |
0 |
0.000 |
12 |
20 |
|
[XYP]A:506 |
9 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
21198 |
130.4 |
-2.5 |
0.688 |
0 |
0 |
0 |
0.028 |
13 |
21 |
|
[XYP]A:505 |
9 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21207 |
127.5 |
-4.1 |
0.469 |
0 |
0 |
0 |
0.052 |
14 |
22 |
|
[XYP]B:505 |
10 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
21099 |
126.4 |
-5.4 |
0.395 |
1 |
0 |
0 |
0.074 |
15 |
23 |
|
[XYP]D:501 |
9 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
21156 |
126.3 |
-2.2 |
0.692 |
0 |
0 |
0 |
0.024 |
16 |
24 |
|
[XYP]A:504 |
8 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
21207 |
94.1 |
0.7 |
0.825 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]C:505 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
21198 |
74.6 |
-10.7 |
0.741 |
2 |
0 |
0 |
0.132 |
18 |
26 |
|
[SO4]A:507 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
21207 |
74.2 |
-10.6 |
0.671 |
2 |
0 |
0 |
0.146 |
19 |
27 |
|
[XYP]A:505 |
6 |
1 |
271 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
21198 |
71.9 |
-0.5 |
0.613 |
0 |
0 |
0 |
0.003 |
20 |
28 |
|
[SO4]B:506 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
21156 |
69.0 |
-9.8 |
0.672 |
2 |
0 |
0 |
0.119 |
21 |
29 |
|
[XYP]B:505 |
6 |
1 |
270 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
21156 |
68.2 |
-0.6 |
0.610 |
0 |
0 |
0 |
0.004 |
22 |
30 |
|
[XYP]D:501 |
6 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
21099 |
63.7 |
-1.4 |
0.556 |
0 |
0 |
0 |
0.010 |
23 |
31 |
|
[XYP]A:506 |
7 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
21207 |
61.0 |
-1.0 |
0.620 |
0 |
0 |
0 |
0.007 |
24 |
32 |
|
C |
10 |
5 |
21198 |
◊ |
A |
x,y-1,z-1 |
1_544 |
8 |
4 |
21207 |
59.6 |
0.7 |
0.600 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
6 |
3 |
21156 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
3 |
21099 |
25.7 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
Average: |
42.6 |
0.4 |
0.643 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[SO4]C:505 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21207 |
59.4 |
-7.5 |
0.756 |
1 |
0 |
0 |
0.051 |
26 |
35 |
|
[SO4]A:507 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
21198 |
53.5 |
-6.7 |
0.754 |
1 |
0 |
0 |
0.046 |
27 |
36 |
|
[SO4]B:506 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
21099 |
52.2 |
-6.8 |
0.758 |
1 |
0 |
0 |
0.051 |
28 |
37 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
21207 |
45.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
38 |
|
[MN]D:503 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
21099 |
45.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
39 |
|
[MN]B:502 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
21156 |
45.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
40 |
|
[MN]C:503 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
21198 |
45.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
45.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
29 |
41 |
|
[XYP]A:504 |
4 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
21099 |
45.5 |
0.2 |
0.822 |
1 |
0 |
0 |
0.003 |
30 |
42 |
|
[SO4]B:506 |
4 |
1 |
187 |
◊ |
A |
x,y-1,z-1 |
1_544 |
3 |
1 |
21207 |
41.3 |
-4.5 |
0.813 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[MN]D:502 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
21099 |
40.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.094 |
44 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
21207 |
40.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.094 |
45 |
|
[MN]B:501 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
21156 |
40.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
46 |
|
[MN]C:502 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
21198 |
39.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
40.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
32 |
47 |
|
[XLS]C:504 |
5 |
1 |
291 |
f |
[MN]C:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
48 |
|
[XLS]B:503 |
5 |
1 |
291 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
49 |
|
[XLS]A:503 |
5 |
1 |
291 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
50 |
|
[XLS]D:504 |
5 |
1 |
290 |
f |
[MN]D:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
34.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
33 |
51 |
|
[XLS]D:504 |
4 |
1 |
290 |
f |
[MN]D:503 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
52 |
|
[XLS]B:503 |
4 |
1 |
291 |
f |
[MN]B:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
53 |
|
[XLS]A:503 |
4 |
1 |
291 |
f |
[MN]A:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
54 |
|
[XLS]C:504 |
5 |
1 |
291 |
f |
[MN]C:503 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
30.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
55 |
|
[XLS]D:504 |
2 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21207 |
24.4 |
0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
56 |
|
[XLS]C:504 |
2 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21156 |
24.3 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
57 |
|
[XLS]A:503 |
2 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
21099 |
24.1 |
0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
58 |
|
[XLS]B:503 |
2 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21198 |
22.6 |
0.0 |
0.273 |
0 |
0 |
0 |
0.000 |
Average: |
23.8 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
35 |
59 |
|
[MN]C:503 |
1 |
1 |
123 |
f |
[MN]C:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
36 |
60 |
|
[MN]D:503 |
1 |
1 |
123 |
f |
[MN]D:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.018 |
37 |
61 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.018 |
38 |
62 |
|
[MN]B:502 |
1 |
1 |
123 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
63 |
|
B |
4 |
2 |
21156 |
◊ |
A |
x,y-1,z-1 |
1_544 |
1 |
1 |
21207 |
13.4 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
C |
4 |
2 |
21198 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
21207 |
11.4 |
-0.3 |
0.486 |
0 |
0 |
0 |
0.000 |
65 |
|
D |
3 |
2 |
21099 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
21156 |
7.6 |
-0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
Average: |
9.5 |
-0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[MN]D:503 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21207 |
5.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
67 |
|
[MN]C:503 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21156 |
4.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
68 |
|
[MN]A:502 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
21099 |
3.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
|
[MN]B:502 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21198 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
|