## |
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 |
45 |
13 |
9132 |
x |
A |
y,x,-z+1 |
7_556 |
51 |
16 |
8912 |
427.9 |
-3.6 |
0.491 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
41 |
11 |
8528 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
43 |
14 |
8528 |
397.7 |
-5.5 |
0.602 |
4 |
0 |
0 |
0.000 |
Average: |
412.8 |
-4.5 |
0.546 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
A |
44 |
10 |
8912 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
47 |
14 |
9132 |
413.8 |
-4.0 |
0.454 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
41 |
19 |
8912 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
41 |
16 |
8528 |
409.4 |
-7.0 |
0.289 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
[TC2]A:183 |
35 |
1 |
666 |
f |
A |
x,y,z |
1_555 |
55 |
18 |
8912 |
400.1 |
-1.5 |
0.675 |
2 |
0 |
0 |
0.014 |
6 |
|
[TC2]C:182 |
35 |
1 |
672 |
f |
C |
x,y,z |
1_555 |
53 |
18 |
9132 |
395.0 |
-1.1 |
0.695 |
4 |
0 |
0 |
0.014 |
7 |
|
[TC2]B:181 |
28 |
1 |
629 |
f |
B |
x,y,z |
1_555 |
48 |
18 |
8528 |
355.2 |
-1.4 |
0.596 |
3 |
0 |
0 |
0.014 |
Average: |
383.4 |
-1.3 |
0.655 |
3 |
0 |
0 |
0.014 |
5 |
8 |
|
C |
34 |
16 |
9132 |
◊ |
C |
y,x,-z+1 |
7_556 |
34 |
16 |
9132 |
362.1 |
-4.7 |
0.307 |
5 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
32 |
9 |
9132 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
8912 |
361.1 |
2.2 |
0.847 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
31 |
10 |
9132 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
31 |
10 |
9132 |
293.5 |
2.1 |
0.911 |
0 |
6 |
0 |
0.000 |
8 |
11 |
|
C |
35 |
10 |
9132 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
5 |
8528 |
228.4 |
0.2 |
0.796 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
[GOL]C:184 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
9132 |
93.2 |
-0.9 |
0.505 |
2 |
0 |
0 |
0.002 |
10 |
13 |
|
[SO4]C:181 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
9132 |
91.3 |
-12.8 |
0.794 |
2 |
0 |
0 |
0.015 |
11 |
14 |
|
[SO4]A:180 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
8912 |
90.9 |
-15.8 |
0.790 |
8 |
0 |
0 |
0.033 |
12 |
15 |
|
B |
15 |
7 |
8528 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
9 |
5 |
8912 |
90.7 |
-1.2 |
0.579 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]C:180 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
10 |
9132 |
86.1 |
-15.2 |
0.803 |
7 |
0 |
0 |
0.021 |
14 |
17 |
|
A |
11 |
5 |
8912 |
f |
[GOL]C:186 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
1 |
219 |
77.7 |
0.4 |
0.691 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[GOL]C:184 |
6 |
1 |
219 |
◊ |
C |
y,x,-z+1 |
7_556 |
16 |
5 |
9132 |
72.7 |
-0.5 |
0.579 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
B |
9 |
4 |
8528 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8912 |
68.1 |
-1.3 |
0.434 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]A:181 |
5 |
1 |
186 |
f |
C |
y,x,-z+1 |
7_556 |
9 |
5 |
9132 |
67.0 |
-8.7 |
0.904 |
2 |
0 |
0 |
0.011 |
18 |
21 |
|
[NA]A:182 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8912 |
64.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.013 |
22 |
|
[NA]A:185 |
1 |
1 |
125 |
f |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
9 |
7 |
9132 |
60.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
62.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.013 |
19 |
23 |
|
[GOL]C:3731 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9132 |
59.9 |
-0.8 |
0.341 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[FE]A:179 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8912 |
58.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
|
[FE]C:179 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9132 |
57.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.021 |
26 |
|
[FE]B:179 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8528 |
50.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
55.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.021 |
21 |
27 |
|
[CL]C:183 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9132 |
49.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.010 |
28 |
|
[CL]A:184 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8912 |
47.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
48.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.010 |
22 |
29 |
|
[NA]A:185 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8912 |
47.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[NA]A:182 |
1 |
1 |
125 |
◊ |
C |
y,x,-z+1 |
7_556 |
10 |
3 |
9132 |
44.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[TC2]B:181 |
6 |
1 |
629 |
cf |
[FE]B:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
46.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.044 |
32 |
|
[TC2]A:183 |
5 |
1 |
666 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.044 |
33 |
|
[TC2]C:182 |
1 |
1 |
672 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
41.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.044 |
24 |
34 |
|
[CL]C:183 |
1 |
1 |
125 |
f |
[TC2]C:182 |
x,y,z |
1_555 |
12 |
1 |
672 |
43.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.007 |
35 |
|
[CL]A:184 |
1 |
1 |
125 |
f |
[TC2]A:183 |
x,y,z |
1_555 |
14 |
1 |
666 |
43.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
43.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
36 |
|
[NA]B:180 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8528 |
42.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
37 |
|
[NA]C:185 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9132 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.006 |
27 |
38 |
|
[SO4]A:181 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8912 |
34.7 |
-3.4 |
0.953 |
1 |
0 |
0 |
0.000 |
28 |
39 |
|
[TC2]C:182 |
4 |
1 |
672 |
f |
[SO4]C:180 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.4 |
-2.6 |
0.920 |
0 |
0 |
0 |
0.003 |
29 |
40 |
|
[GOL]C:186 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9132 |
31.7 |
1.1 |
0.789 |
1 |
0 |
0 |
0.000 |
30 |
41 |
|
[NA]B:180 |
1 |
1 |
125 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
2 |
1 |
8528 |
30.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[TC2]A:183 |
4 |
1 |
666 |
f |
[SO4]A:180 |
x,y,z |
1_555 |
4 |
1 |
185 |
29.5 |
-2.1 |
0.913 |
1 |
0 |
0 |
0.004 |
32 |
43 |
|
[NA]C:185 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
1 |
9132 |
29.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[CL]A:184 |
1 |
1 |
125 |
f |
[SO4]A:180 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.003 |
34 |
45 |
|
[CL]C:183 |
1 |
1 |
125 |
f |
[SO4]C:180 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.002 |
35 |
46 |
|
[CL]A:184 |
1 |
1 |
125 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
47 |
|
[CL]C:183 |
1 |
1 |
125 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
37 |
48 |
|
[SO4]C:180 |
1 |
1 |
184 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
38 |
49 |
|
[GOL]C:3731 |
2 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8912 |
4.5 |
-0.0 |
0.466 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[SO4]A:180 |
1 |
1 |
185 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
|