## |
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 |
297 |
67 |
16768 |
◊ |
C |
x,y,z |
1_555 |
292 |
67 |
16825 |
2868.1 |
-46.0 |
0.006 |
22 |
8 |
0 |
0.694 |
2 |
|
B |
297 |
70 |
16572 |
◊ |
A |
x,y,z |
1_555 |
295 |
70 |
16481 |
2815.3 |
-47.3 |
0.005 |
21 |
5 |
0 |
0.694 |
Average: |
2841.7 |
-46.6 |
0.006 |
22 |
7 |
0 |
0.694 |
2 |
3 |
|
D |
177 |
44 |
16768 |
◊ |
A |
x,y,z |
1_555 |
164 |
40 |
16481 |
1634.1 |
-6.8 |
0.641 |
27 |
8 |
0 |
0.366 |
4 |
|
C |
155 |
41 |
16825 |
◊ |
B |
x,y,z |
1_555 |
153 |
39 |
16572 |
1547.3 |
-8.1 |
0.566 |
26 |
4 |
0 |
0.366 |
Average: |
1590.7 |
-7.5 |
0.604 |
27 |
6 |
0 |
0.366 |
3 |
5 |
|
D |
99 |
28 |
16768 |
◊ |
B |
x,y,z |
1_555 |
95 |
27 |
16572 |
925.4 |
-13.2 |
0.117 |
8 |
0 |
0 |
0.279 |
6 |
|
C |
96 |
28 |
16825 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
16481 |
916.2 |
-11.8 |
0.159 |
7 |
0 |
0 |
0.279 |
Average: |
920.8 |
-12.5 |
0.138 |
8 |
0 |
0 |
0.279 |
4 |
7 |
|
[NAD]C:402 |
44 |
1 |
866 |
f |
C |
x,y,z |
1_555 |
90 |
35 |
16825 |
649.5 |
-7.4 |
0.482 |
13 |
0 |
0 |
0.434 |
8 |
|
[NAD]A:402 |
44 |
1 |
864 |
f |
A |
x,y,z |
1_555 |
89 |
35 |
16481 |
641.4 |
-6.8 |
0.540 |
12 |
0 |
0 |
0.434 |
9 |
|
[NAD]D:801 |
43 |
1 |
860 |
f |
D |
x,y,z |
1_555 |
91 |
36 |
16768 |
628.7 |
-7.0 |
0.513 |
12 |
0 |
0 |
0.434 |
10 |
|
[NAD]B:402 |
43 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
83 |
33 |
16572 |
611.7 |
-5.7 |
0.551 |
10 |
0 |
0 |
0.434 |
Average: |
632.8 |
-6.7 |
0.522 |
12 |
0 |
0 |
0.434 |
5 |
11 |
|
B |
50 |
16 |
16572 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
16 |
16481 |
454.5 |
-2.8 |
0.534 |
4 |
0 |
0 |
0.040 |
6 |
12 |
|
C |
53 |
14 |
16825 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
40 |
13 |
16825 |
416.1 |
-1.0 |
0.672 |
3 |
1 |
0 |
0.000 |
7 |
13 |
|
B |
46 |
16 |
16572 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
54 |
14 |
16481 |
414.2 |
1.7 |
0.838 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
36 |
12 |
16572 |
◊ |
A |
x,y-1,z |
1_545 |
40 |
13 |
16481 |
354.1 |
1.7 |
0.813 |
3 |
5 |
0 |
0.000 |
9 |
15 |
|
D |
32 |
13 |
16768 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
16572 |
279.8 |
-1.5 |
0.535 |
1 |
1 |
0 |
0.018 |
10 |
16 |
|
D |
33 |
11 |
16768 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
36 |
15 |
16481 |
277.0 |
1.3 |
0.791 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
29 |
11 |
16572 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
33 |
8 |
16768 |
273.5 |
-2.7 |
0.444 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
23 |
10 |
16768 |
x |
D |
-x,y-1/2,-z |
2_545 |
23 |
9 |
16768 |
212.3 |
-0.7 |
0.608 |
2 |
2 |
0 |
0.000 |
13 |
19 |
|
C |
22 |
9 |
16825 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
5 |
16481 |
196.9 |
2.8 |
0.904 |
4 |
1 |
0 |
0.000 |
14 |
20 |
|
B |
19 |
6 |
16572 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
16825 |
176.7 |
-0.1 |
0.671 |
3 |
1 |
0 |
0.000 |
15 |
21 |
|
[EPE]A:401 |
12 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16481 |
141.0 |
1.8 |
0.028 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[EPE]B:401 |
12 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
16572 |
139.1 |
1.9 |
0.034 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[EPE]C:401 |
12 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
16825 |
136.6 |
1.7 |
0.021 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
12 |
6 |
16572 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
16572 |
116.1 |
0.7 |
0.767 |
3 |
0 |
0 |
0.000 |
19 |
25 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16481 |
94.6 |
-12.0 |
0.854 |
2 |
0 |
0 |
0.229 |
20 |
26 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16572 |
94.2 |
-12.0 |
0.860 |
3 |
0 |
0 |
0.240 |
21 |
27 |
|
[EPE]B:401 |
10 |
1 |
402 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
16481 |
62.6 |
1.7 |
0.010 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]B:403 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16768 |
58.4 |
-8.1 |
0.680 |
1 |
0 |
0 |
0.142 |
23 |
29 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16825 |
57.7 |
-8.3 |
0.634 |
2 |
0 |
0 |
0.150 |
24 |
30 |
|
C |
5 |
3 |
16825 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
16481 |
46.9 |
0.7 |
0.791 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
D |
9 |
4 |
16768 |
◊ |
[NAD]B:402 |
x-1,y,z |
1_455 |
5 |
1 |
865 |
40.7 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.003 |
26 |
32 |
|
A |
4 |
2 |
16481 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
2 |
16768 |
36.0 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[NAD]C:402 |
5 |
1 |
866 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
16825 |
35.1 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[EPE]C:401 |
4 |
1 |
397 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16481 |
25.6 |
1.7 |
0.155 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
1 |
1 |
16572 |
◊ |
[NAD]A:402 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
864 |
22.1 |
0.8 |
0.857 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
D |
3 |
2 |
16768 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
16481 |
18.0 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]A:404 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16572 |
1.8 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.002 |
|