| ## |
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 |
98 |
32 |
16335 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
93 |
34 |
16360 |
956.3 |
-7.7 |
0.179 |
6 |
0 |
0 |
0.000 |
2 |
|
D |
91 |
31 |
16386 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
100 |
31 |
16256 |
955.4 |
-6.7 |
0.265 |
7 |
0 |
0 |
0.000 |
| Average: |
955.8 |
-7.2 |
0.222 |
7 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
65 |
20 |
16360 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
18 |
16256 |
555.1 |
-2.4 |
0.382 |
4 |
1 |
0 |
0.000 |
4 |
|
B |
60 |
18 |
16335 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
63 |
19 |
16386 |
552.9 |
-2.1 |
0.390 |
4 |
1 |
0 |
0.000 |
| Average: |
554.0 |
-2.2 |
0.386 |
4 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
56 |
20 |
16256 |
◊ |
A |
x,y,z |
1_555 |
48 |
18 |
16360 |
489.9 |
-1.1 |
0.520 |
5 |
1 |
0 |
0.000 |
6 |
|
D |
47 |
17 |
16386 |
◊ |
B |
x-1,y,z-1 |
1_454 |
56 |
20 |
16335 |
487.0 |
-0.7 |
0.562 |
5 |
1 |
0 |
0.000 |
| Average: |
488.4 |
-0.9 |
0.541 |
5 |
1 |
0 |
0.000 |
| 4 |
7 |
|
B |
53 |
13 |
16335 |
◊ |
A |
x,y,z |
1_555 |
53 |
12 |
16360 |
481.0 |
-6.6 |
0.118 |
2 |
0 |
0 |
0.069 |
8 |
|
D |
55 |
12 |
16386 |
◊ |
C |
x,y,z |
1_555 |
52 |
12 |
16256 |
479.2 |
-6.0 |
0.159 |
2 |
0 |
0 |
0.069 |
| Average: |
480.1 |
-6.3 |
0.139 |
2 |
0 |
0 |
0.069 |
| 5 |
9 |
|
[MAL]D:501 |
23 |
1 |
459 |
f |
D |
x,y,z |
1_555 |
55 |
19 |
16386 |
327.6 |
1.2 |
0.441 |
8 |
0 |
0 |
0.045 |
10 |
|
[MAL]A:501 |
23 |
1 |
460 |
f |
A |
x,y,z |
1_555 |
54 |
19 |
16360 |
326.1 |
1.2 |
0.411 |
7 |
0 |
0 |
0.045 |
11 |
|
[MAL]B:501 |
23 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
16335 |
316.8 |
1.5 |
0.458 |
10 |
0 |
0 |
0.045 |
12 |
|
[MAL]C:501 |
23 |
1 |
457 |
f |
C |
x,y,z |
1_555 |
50 |
20 |
16256 |
314.9 |
1.6 |
0.464 |
10 |
0 |
0 |
0.045 |
| Average: |
321.4 |
1.4 |
0.443 |
9 |
0 |
0 |
0.045 |
| 6 |
13 |
|
B |
31 |
7 |
16335 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
31 |
7 |
16256 |
274.0 |
1.2 |
0.732 |
5 |
3 |
0 |
0.000 |
| 7 |
14 |
|
D |
19 |
3 |
16386 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
3 |
16360 |
158.0 |
-0.2 |
0.561 |
0 |
1 |
0 |
0.000 |
| 8 |
15 |
|
[GOL]C:413 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
36 |
12 |
16256 |
156.2 |
-0.8 |
0.489 |
3 |
0 |
0 |
0.018 |
| 9 |
16 |
|
[GOL]B:413 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
16335 |
149.9 |
-1.0 |
0.449 |
0 |
0 |
0 |
0.010 |
| 10 |
17 |
|
A |
26 |
9 |
16360 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
19 |
9 |
16386 |
144.8 |
2.4 |
0.829 |
1 |
1 |
0 |
0.000 |
| 11 |
18 |
|
[GOL]D:411 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
33 |
12 |
16386 |
144.0 |
-0.4 |
0.559 |
4 |
0 |
0 |
0.019 |
| 12 |
19 |
|
[GOL]A:410 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
16360 |
138.8 |
-0.7 |
0.507 |
4 |
0 |
0 |
0.023 |
| 13 |
20 |
|
[GOL]B:414 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16335 |
114.7 |
-0.0 |
0.492 |
2 |
0 |
0 |
0.008 |
| 14 |
21 |
|
[SO4]C:411 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
16256 |
83.4 |
-11.5 |
0.759 |
1 |
0 |
0 |
0.102 |
| 15 |
22 |
|
[SO4]B:408 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
16335 |
81.3 |
-10.8 |
0.776 |
1 |
0 |
0 |
0.104 |
| 16 |
23 |
|
[SO4]D:408 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
16386 |
71.2 |
-9.8 |
0.807 |
5 |
0 |
0 |
0.102 |
| 17 |
24 |
|
[SO4]B:412 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16335 |
70.3 |
-8.6 |
0.880 |
1 |
0 |
0 |
0.084 |
| 18 |
25 |
|
[SO4]C:410 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
16256 |
69.5 |
-8.1 |
0.924 |
2 |
0 |
0 |
0.076 |
| 19 |
26 |
|
[SO4]D:409 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
16386 |
69.1 |
-10.4 |
0.450 |
4 |
0 |
0 |
0.104 |
| 20 |
27 |
|
[SO4]B:410 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
16335 |
69.0 |
-9.3 |
0.839 |
2 |
0 |
0 |
0.094 |
| 21 |
28 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16360 |
68.2 |
-8.9 |
0.851 |
2 |
0 |
0 |
0.091 |
| 22 |
29 |
|
[SO4]A:408 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16360 |
68.2 |
-9.7 |
0.813 |
6 |
0 |
0 |
0.114 |
| 23 |
30 |
|
[SO4]C:408 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16256 |
66.9 |
-9.0 |
0.831 |
2 |
0 |
0 |
0.084 |
| 24 |
31 |
|
[SO4]D:410 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
16386 |
65.1 |
-8.7 |
0.833 |
2 |
0 |
0 |
0.082 |
| 25 |
32 |
|
[SO4]A:408 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
16335 |
63.0 |
-9.3 |
0.646 |
1 |
0 |
0 |
0.091 |
| 26 |
33 |
|
[SO4]B:409 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16335 |
62.5 |
-9.1 |
0.682 |
5 |
0 |
0 |
0.105 |
| 27 |
34 |
|
[SO4]D:408 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
16256 |
62.4 |
-9.1 |
0.665 |
1 |
0 |
0 |
0.081 |
| 28 |
35 |
|
[SO4]C:409 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
16256 |
62.1 |
-9.0 |
0.643 |
3 |
0 |
0 |
0.088 |
| 29 |
36 |
|
[SO4]B:409 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
16360 |
60.3 |
-8.5 |
0.737 |
1 |
0 |
0 |
0.083 |
| 30 |
37 |
|
[SO4]C:412 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
16256 |
59.0 |
-8.2 |
0.541 |
1 |
0 |
0 |
0.074 |
| 31 |
38 |
|
[SO4]B:411 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
16335 |
58.5 |
-8.0 |
0.522 |
1 |
0 |
0 |
0.079 |
| 32 |
39 |
|
[SO4]C:409 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
16386 |
54.6 |
-7.5 |
0.702 |
1 |
0 |
0 |
0.068 |
| 33 |
40 |
|
[SO4]B:412 |
1 |
1 |
185 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
16386 |
2.4 |
-0.2 |
0.914 |
0 |
0 |
0 |
0.000 |
|