## |
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 |
124 |
39 |
12694 |
◊ |
B |
x,y,z |
1_555 |
125 |
37 |
12470 |
1295.0 |
-16.6 |
0.047 |
10 |
1 |
0 |
0.122 |
2 |
|
D |
120 |
35 |
12605 |
◊ |
A |
x,y,z |
1_555 |
117 |
37 |
12572 |
1272.2 |
-17.2 |
0.040 |
10 |
1 |
0 |
0.122 |
3 |
|
B |
123 |
38 |
12470 |
◊ |
A |
x,y,z |
1_555 |
122 |
33 |
12572 |
1267.4 |
-18.9 |
0.029 |
10 |
1 |
0 |
0.122 |
4 |
|
E |
120 |
38 |
12694 |
◊ |
C |
x,y,z |
1_555 |
117 |
34 |
12694 |
1255.7 |
-17.8 |
0.030 |
10 |
2 |
0 |
0.122 |
5 |
|
E |
116 |
34 |
12694 |
◊ |
D |
x,y,z |
1_555 |
119 |
38 |
12605 |
1243.1 |
-19.0 |
0.020 |
8 |
0 |
0 |
0.122 |
Average: |
1266.7 |
-17.9 |
0.033 |
10 |
1 |
0 |
0.122 |
2 |
6 |
|
C |
107 |
31 |
12694 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
107 |
31 |
12694 |
936.7 |
-14.2 |
0.079 |
6 |
0 |
0 |
0.054 |
7 |
|
E |
106 |
31 |
12694 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
106 |
31 |
12470 |
920.1 |
-14.3 |
0.078 |
4 |
0 |
0 |
0.054 |
8 |
|
D |
105 |
32 |
12605 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
102 |
32 |
12572 |
907.9 |
-15.2 |
0.062 |
3 |
0 |
0 |
0.054 |
Average: |
921.6 |
-14.6 |
0.073 |
4 |
0 |
0 |
0.054 |
3 |
9 |
|
D |
58 |
17 |
12605 |
◊ |
B |
y-1,x,-z |
4_455 |
52 |
16 |
12470 |
455.2 |
0.5 |
0.733 |
3 |
4 |
0 |
0.000 |
4 |
10 |
|
E |
49 |
13 |
12694 |
x |
E |
-y,x-y+1,z-1/3 |
2_564 |
39 |
13 |
12694 |
369.9 |
-0.0 |
0.643 |
4 |
0 |
0 |
0.000 |
5 |
11 |
|
E |
33 |
10 |
12694 |
◊ |
B |
y-1,x,-z |
4_455 |
31 |
11 |
12470 |
284.7 |
1.6 |
0.779 |
1 |
2 |
0 |
0.000 |
6 |
12 |
|
C |
27 |
8 |
12694 |
◊ |
A |
-y,x-y+1,z-1/3 |
2_564 |
20 |
5 |
12572 |
192.6 |
0.3 |
0.694 |
4 |
2 |
0 |
0.000 |
7 |
13 |
|
D |
19 |
6 |
12605 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
19 |
6 |
12470 |
186.1 |
-4.2 |
0.112 |
2 |
0 |
0 |
0.013 |
14 |
|
E |
19 |
6 |
12694 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
19 |
6 |
12694 |
182.8 |
-4.1 |
0.113 |
2 |
0 |
0 |
0.013 |
15 |
|
A |
18 |
5 |
12572 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
18 |
5 |
12572 |
180.5 |
-4.1 |
0.116 |
2 |
0 |
0 |
0.013 |
Average: |
183.1 |
-4.1 |
0.113 |
2 |
0 |
0 |
0.013 |
8 |
16 |
|
[K]A:289 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
12572 |
97.4 |
-96.9 |
0.000 |
0 |
0 |
0 |
0.629 |
17 |
|
[K]D:288 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
12605 |
96.9 |
-96.3 |
0.000 |
0 |
0 |
0 |
0.629 |
18 |
|
[K]E:287 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
12694 |
96.7 |
-96.0 |
0.000 |
0 |
0 |
0 |
0.629 |
19 |
|
[K]B:289 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
12470 |
96.3 |
-96.0 |
0.000 |
0 |
0 |
0 |
0.629 |
20 |
|
[K]C:288 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
12694 |
95.3 |
-94.4 |
0.000 |
0 |
0 |
0 |
0.629 |
Average: |
96.5 |
-95.9 |
0.000 |
0 |
0 |
0 |
0.629 |
9 |
21 |
|
E |
8 |
3 |
12694 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
11 |
4 |
12605 |
75.5 |
0.4 |
0.700 |
1 |
0 |
0 |
0.000 |
10 |
22 |
|
[SO4]A:285 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12572 |
74.7 |
-10.2 |
0.869 |
2 |
0 |
0 |
0.034 |
11 |
23 |
|
[CL]A:288 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12572 |
74.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
|
[CL]C:286 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12694 |
72.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
73.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.074 |
12 |
25 |
|
[SO4]D:285 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
12605 |
72.5 |
-10.1 |
0.837 |
3 |
0 |
0 |
0.035 |
13 |
26 |
|
[CL]B:288 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12470 |
72.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.081 |
27 |
|
[CL]D:287 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
12605 |
71.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.081 |
28 |
|
[CL]E:285 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
12694 |
70.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.081 |
29 |
|
[CL]A:287 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12572 |
70.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.081 |
30 |
|
[CL]C:285 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12694 |
69.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
70.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.081 |
14 |
31 |
|
[SO4]E:284 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
12694 |
70.5 |
-9.2 |
0.861 |
3 |
0 |
0 |
0.034 |
15 |
32 |
|
[SO4]B:284 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12470 |
70.0 |
-9.6 |
0.828 |
1 |
0 |
0 |
0.033 |
16 |
33 |
|
[SO4]A:284 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12572 |
69.3 |
-9.9 |
0.790 |
1 |
0 |
0 |
0.032 |
17 |
34 |
|
[SO4]C:284 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12694 |
67.4 |
-9.8 |
0.643 |
1 |
0 |
0 |
0.065 |
18 |
35 |
|
[SO4]D:284 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
12605 |
67.2 |
-9.0 |
0.791 |
3 |
0 |
0 |
0.032 |
19 |
36 |
|
[SO4]B:285 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
12470 |
65.3 |
-7.2 |
0.958 |
2 |
0 |
0 |
0.027 |
20 |
37 |
|
[CL]B:287 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12470 |
63.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.049 |
38 |
|
[CL]C:287 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12694 |
59.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.049 |
39 |
|
[CL]A:286 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12572 |
59.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.049 |
40 |
|
[CL]D:286 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12605 |
59.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
60.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.049 |
21 |
41 |
|
[CL]E:286 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
12694 |
61.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.025 |
22 |
42 |
|
[SO4]B:286 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12470 |
60.8 |
-7.6 |
0.894 |
2 |
0 |
0 |
0.028 |
23 |
43 |
|
[SO4]B:283 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12470 |
58.9 |
-6.6 |
0.918 |
2 |
0 |
0 |
0.025 |
24 |
44 |
|
[SO4]B:285 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12694 |
56.9 |
-7.5 |
0.663 |
0 |
0 |
0 |
0.008 |
25 |
45 |
|
[SO4]A:283 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12572 |
55.7 |
-6.0 |
0.926 |
3 |
0 |
0 |
0.023 |
26 |
46 |
|
[SO4]C:283 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
12694 |
51.8 |
-5.5 |
0.912 |
3 |
0 |
0 |
0.044 |
27 |
47 |
|
C |
8 |
3 |
12694 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
5 |
1 |
12605 |
51.5 |
0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[SO4]D:283 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
12605 |
51.2 |
-5.6 |
0.919 |
1 |
0 |
0 |
0.019 |
29 |
49 |
|
[SO4]E:283 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
12694 |
49.8 |
-5.3 |
0.905 |
4 |
0 |
0 |
0.023 |
30 |
50 |
|
D |
5 |
2 |
12605 |
◊ |
[SO4]B:286 |
y-1,x,-z |
4_455 |
4 |
1 |
186 |
49.6 |
-6.9 |
0.496 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
[CL]B:287 |
1 |
1 |
125 |
◊ |
E |
-x,-x+y,-z-1/3 |
6_554 |
3 |
1 |
12694 |
34.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.021 |
52 |
|
[CL]A:286 |
1 |
1 |
125 |
◊ |
D |
-x,-x+y,-z-1/3 |
6_554 |
4 |
1 |
12605 |
31.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.021 |
53 |
|
[CL]D:286 |
1 |
1 |
125 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
4 |
1 |
12572 |
30.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.021 |
54 |
|
[CL]C:287 |
1 |
1 |
125 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
4 |
1 |
12694 |
29.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
31.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
55 |
|
[CL]E:286 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
12605 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
56 |
|
[K]C:288 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12470 |
26.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.069 |
57 |
|
[K]E:287 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12694 |
23.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.069 |
58 |
|
[K]B:289 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12572 |
23.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.069 |
59 |
|
[K]D:288 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
12694 |
22.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.069 |
60 |
|
[K]A:289 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12605 |
21.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
23.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.069 |
34 |
61 |
|
B |
1 |
1 |
12470 |
◊ |
B |
-x,-x+y,-z+2/3 |
6_555 |
1 |
1 |
12470 |
19.6 |
0.4 |
0.899 |
0 |
0 |
0 |
0.000 |
35 |
62 |
|
[CL]C:287 |
1 |
1 |
125 |
◊ |
[CL]C:287 |
-x,-x+y,-z-1/3 |
6_554 |
1 |
1 |
125 |
17.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
63 |
|
[CL]D:286 |
1 |
1 |
125 |
◊ |
[CL]A:286 |
-x,-x+y,-z-1/3 |
6_554 |
1 |
1 |
125 |
16.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.010 |
37 |
64 |
|
[CL]C:286 |
1 |
1 |
125 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
2 |
1 |
12605 |
11.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
C |
1 |
1 |
12694 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
3 |
2 |
12572 |
9.1 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
|