| ## |
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 |
294 |
70 |
16814 |
◊ |
C |
x,y,z |
1_555 |
293 |
70 |
16711 |
2813.6 |
-48.6 |
0.003 |
22 |
7 |
0 |
0.488 |
2 |
|
B |
296 |
69 |
16419 |
◊ |
A |
x,y,z |
1_555 |
296 |
70 |
17030 |
2810.7 |
-48.2 |
0.005 |
26 |
8 |
0 |
0.488 |
| Average: |
2812.1 |
-48.4 |
0.004 |
24 |
8 |
0 |
0.488 |
| 2 |
3 |
|
D |
166 |
45 |
16814 |
◊ |
A |
x,y,z |
1_555 |
166 |
46 |
17030 |
1561.2 |
-6.5 |
0.642 |
27 |
3 |
0 |
0.236 |
4 |
|
C |
159 |
42 |
16711 |
◊ |
B |
x,y,z |
1_555 |
155 |
41 |
16419 |
1479.2 |
-10.0 |
0.509 |
22 |
0 |
0 |
0.236 |
| Average: |
1520.2 |
-8.3 |
0.576 |
25 |
2 |
0 |
0.236 |
| 3 |
5 |
|
D |
96 |
28 |
16814 |
◊ |
B |
x,y,z |
1_555 |
96 |
28 |
16419 |
912.5 |
-11.2 |
0.216 |
8 |
0 |
0 |
0.159 |
6 |
|
C |
93 |
27 |
16711 |
◊ |
A |
x,y,z |
1_555 |
95 |
27 |
17030 |
892.2 |
-12.2 |
0.133 |
8 |
0 |
0 |
0.159 |
| Average: |
902.4 |
-11.7 |
0.175 |
8 |
0 |
0 |
0.159 |
| 4 |
7 |
|
[NAD]D:401 |
42 |
1 |
861 |
f |
D |
x,y,z |
1_555 |
91 |
33 |
16814 |
635.6 |
-6.8 |
0.542 |
10 |
0 |
0 |
0.276 |
8 |
|
[NAD]B:401 |
43 |
1 |
863 |
f |
B |
x,y,z |
1_555 |
87 |
32 |
16419 |
629.8 |
-7.1 |
0.556 |
10 |
0 |
0 |
0.276 |
9 |
|
[NAD]A:401 |
43 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
91 |
33 |
17030 |
625.2 |
-6.9 |
0.507 |
9 |
0 |
0 |
0.276 |
10 |
|
[NAD]C:401 |
41 |
1 |
864 |
f |
C |
x,y,z |
1_555 |
80 |
31 |
16711 |
585.1 |
-5.5 |
0.539 |
7 |
0 |
0 |
0.276 |
| Average: |
618.9 |
-6.6 |
0.536 |
9 |
0 |
0 |
0.276 |
| 5 |
11 |
|
B |
60 |
16 |
16419 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
68 |
23 |
17030 |
586.6 |
0.7 |
0.800 |
6 |
3 |
0 |
0.001 |
| 6 |
12 |
|
C |
56 |
16 |
16711 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
51 |
13 |
16711 |
454.5 |
0.2 |
0.738 |
2 |
1 |
0 |
0.000 |
| 7 |
13 |
|
B |
46 |
14 |
16419 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
12 |
17030 |
397.9 |
-3.4 |
0.473 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
29 |
8 |
16419 |
◊ |
A |
x,y-1,z |
1_545 |
33 |
11 |
17030 |
283.8 |
-1.3 |
0.593 |
2 |
2 |
0 |
0.000 |
| 9 |
15 |
|
B |
28 |
11 |
16419 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
38 |
10 |
16814 |
282.6 |
-1.5 |
0.602 |
3 |
0 |
0 |
0.000 |
| 10 |
16 |
|
D |
29 |
12 |
16814 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
38 |
16 |
17030 |
269.1 |
2.5 |
0.843 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
C |
24 |
9 |
16711 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
17030 |
197.0 |
1.0 |
0.785 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
D |
21 |
10 |
16814 |
x |
D |
-x,y-1/2,-z |
2_545 |
22 |
9 |
16814 |
194.0 |
0.2 |
0.713 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
B |
18 |
7 |
16419 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
16711 |
131.6 |
-0.6 |
0.603 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
B |
14 |
6 |
16419 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
2 |
16419 |
127.3 |
0.6 |
0.782 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
D |
13 |
6 |
16814 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
8 |
16419 |
114.9 |
0.8 |
0.789 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
16814 |
96.1 |
-12.4 |
0.866 |
3 |
0 |
0 |
0.171 |
| 17 |
23 |
|
[SO4]C:402 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
16711 |
95.2 |
-12.1 |
0.865 |
3 |
0 |
0 |
0.144 |
| 18 |
24 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
16419 |
95.1 |
-11.8 |
0.884 |
3 |
0 |
0 |
0.141 |
| 19 |
25 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17030 |
94.9 |
-11.9 |
0.866 |
3 |
0 |
0 |
0.165 |
| 20 |
26 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16419 |
81.6 |
-12.2 |
0.632 |
2 |
0 |
0 |
0.140 |
| 21 |
27 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
16711 |
80.1 |
-12.2 |
0.545 |
3 |
0 |
0 |
0.145 |
| 22 |
28 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17030 |
78.0 |
-11.3 |
0.599 |
2 |
0 |
0 |
0.152 |
| 23 |
29 |
|
D |
6 |
4 |
16814 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
17030 |
56.2 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[SO4]C:402 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17030 |
50.6 |
-7.2 |
0.635 |
1 |
0 |
0 |
0.073 |
| 25 |
31 |
|
[NAD]C:401 |
7 |
1 |
864 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
16711 |
50.2 |
1.0 |
0.791 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[SO4]B:402 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
16814 |
48.2 |
-6.9 |
0.624 |
1 |
0 |
0 |
0.079 |
| 27 |
33 |
|
[SO4]D:402 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
16419 |
45.3 |
-6.5 |
0.641 |
2 |
0 |
0 |
0.079 |
| 28 |
34 |
|
[SO4]A:402 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
16711 |
43.9 |
-6.3 |
0.600 |
1 |
0 |
0 |
0.065 |
| 29 |
35 |
|
[SO4]B:403 |
4 |
1 |
185 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
17030 |
42.6 |
-5.7 |
0.421 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
A |
3 |
1 |
17030 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
1 |
16814 |
24.7 |
1.0 |
0.865 |
1 |
0 |
0 |
0.000 |
| 31 |
37 |
|
B |
1 |
1 |
16419 |
◊ |
[NAD]A:401 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
860 |
24.7 |
0.8 |
0.839 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
C |
4 |
2 |
16711 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
17030 |
18.4 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
D |
1 |
1 |
16814 |
◊ |
[NAD]B:401 |
x-1,y,z |
1_455 |
3 |
1 |
863 |
15.0 |
-0.6 |
0.517 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[SO4]C:403 |
3 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17030 |
12.7 |
-0.7 |
0.969 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[SO4]C:402 |
1 |
1 |
186 |
◊ |
[SO4]A:402 |
x,y,z |
1_555 |
1 |
1 |
187 |
7.2 |
-1.7 |
0.800 |
0 |
0 |
0 |
0.017 |
| 36 |
42 |
|
[SO4]D:402 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16711 |
7.0 |
-0.9 |
0.643 |
0 |
0 |
0 |
0.008 |
| 37 |
43 |
|
[SO4]A:402 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16419 |
6.2 |
-0.8 |
0.679 |
0 |
0 |
0 |
0.006 |
| 38 |
44 |
|
[SO4]C:402 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16814 |
5.5 |
-0.8 |
0.675 |
0 |
0 |
0 |
0.006 |
| 39 |
45 |
|
[SO4]D:402 |
1 |
1 |
185 |
◊ |
[SO4]B:402 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.9 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.010 |
| 40 |
46 |
|
[SO4]B:402 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17030 |
3.9 |
-0.5 |
0.719 |
0 |
0 |
0 |
0.004 |
| 41 |
47 |
|
C |
2 |
2 |
16711 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
16814 |
2.7 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|