## |
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 |
64 |
21 |
17601 |
◊ |
D |
-y+1,x,z |
3_655 |
74 |
22 |
16719 |
757.2 |
-10.7 |
0.086 |
6 |
0 |
0 |
0.024 |
2 |
2 |
|
B |
72 |
22 |
17264 |
◊ |
A |
-y,x,z |
3_555 |
68 |
20 |
17534 |
702.9 |
-10.0 |
0.074 |
6 |
0 |
0 |
0.036 |
3 |
3 |
|
C |
83 |
29 |
17601 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
17534 |
687.2 |
-4.3 |
0.490 |
7 |
1 |
0 |
0.022 |
4 |
4 |
|
B |
62 |
20 |
17264 |
◊ |
B |
y,x,-z+1 |
7_556 |
62 |
20 |
17264 |
636.6 |
-7.8 |
0.157 |
10 |
0 |
0 |
0.016 |
5 |
5 |
|
D |
65 |
22 |
16719 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
17264 |
573.6 |
-3.2 |
0.482 |
9 |
0 |
0 |
0.037 |
6 |
6 |
|
A |
69 |
20 |
17534 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
62 |
23 |
16719 |
558.2 |
0.5 |
0.660 |
8 |
3 |
0 |
0.009 |
7 |
7 |
|
B |
59 |
18 |
17264 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
17534 |
501.0 |
-1.6 |
0.554 |
4 |
1 |
0 |
0.010 |
8 |
8 |
|
A |
48 |
14 |
17534 |
x |
A |
-y,x,z |
3_555 |
33 |
10 |
17534 |
403.8 |
-4.0 |
0.175 |
5 |
0 |
0 |
0.018 |
9 |
9 |
|
C |
33 |
11 |
17601 |
◊ |
B |
y,x,-z+1 |
7_556 |
37 |
11 |
17264 |
319.3 |
-3.2 |
0.363 |
3 |
0 |
0 |
0.010 |
10 |
10 |
|
D |
32 |
12 |
16719 |
◊ |
C |
-y,x,z |
3_555 |
29 |
12 |
17601 |
226.6 |
-2.0 |
0.445 |
1 |
0 |
0 |
0.004 |
11 |
11 |
|
[SAL]B:502 |
10 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
17264 |
161.1 |
2.8 |
0.469 |
6 |
0 |
0 |
0.000 |
12 |
|
[SAL]D:502 |
10 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
25 |
16 |
16719 |
154.0 |
2.9 |
0.454 |
6 |
0 |
0 |
0.000 |
Average: |
157.6 |
2.8 |
0.462 |
6 |
0 |
0 |
0.000 |
12 |
13 |
|
C |
11 |
5 |
17601 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
17264 |
120.4 |
-1.9 |
0.313 |
0 |
0 |
0 |
0.004 |
13 |
14 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
17534 |
118.6 |
-17.3 |
0.713 |
1 |
0 |
0 |
0.052 |
14 |
15 |
|
[ACT]A:520 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
17534 |
117.2 |
-0.5 |
0.623 |
3 |
0 |
0 |
0.005 |
15 |
16 |
|
[SO4]C:501 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
17601 |
112.7 |
-19.1 |
0.713 |
5 |
0 |
0 |
0.063 |
16 |
17 |
|
[SO4]A:504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
17534 |
112.6 |
-16.4 |
0.765 |
0 |
0 |
0 |
0.048 |
17 |
18 |
|
[SO4]A:508 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
17534 |
109.0 |
-16.7 |
0.564 |
1 |
0 |
0 |
0.051 |
18 |
19 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
17264 |
105.4 |
-13.4 |
0.850 |
3 |
0 |
0 |
0.076 |
19 |
20 |
|
[SO4]A:514 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
17534 |
103.0 |
-11.7 |
0.818 |
1 |
0 |
0 |
0.036 |
20 |
21 |
|
[SO4]D:504 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
16719 |
99.0 |
-17.3 |
0.717 |
6 |
0 |
0 |
0.103 |
21 |
22 |
|
[SO4]B:503 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
17264 |
98.3 |
-17.3 |
0.703 |
6 |
0 |
0 |
0.103 |
22 |
23 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
17534 |
98.2 |
-15.6 |
0.744 |
4 |
0 |
0 |
0.051 |
23 |
24 |
|
C |
10 |
5 |
17601 |
◊ |
C |
x,-y,-z+1 |
6_556 |
10 |
5 |
17601 |
93.8 |
-1.4 |
0.351 |
0 |
0 |
0 |
0.002 |
24 |
25 |
|
[SO4]D:510 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
16719 |
89.5 |
-12.6 |
0.705 |
1 |
0 |
0 |
0.068 |
25 |
26 |
|
[SO4]A:510 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17534 |
87.0 |
-11.0 |
0.953 |
4 |
0 |
0 |
0.038 |
26 |
27 |
|
[SO4]D:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17264 |
86.8 |
-10.3 |
0.918 |
2 |
0 |
0 |
0.058 |
27 |
28 |
|
[SO4]A:513 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17534 |
86.7 |
-13.2 |
0.618 |
2 |
0 |
0 |
0.042 |
28 |
29 |
|
[SO4]D:506 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16719 |
85.9 |
-12.5 |
0.853 |
5 |
0 |
0 |
0.076 |
29 |
30 |
|
[SO4]B:507 |
4 |
1 |
186 |
f |
A |
-y,x,z |
3_555 |
10 |
5 |
17534 |
83.8 |
-10.2 |
0.835 |
0 |
0 |
0 |
0.030 |
30 |
31 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17534 |
82.7 |
-10.3 |
0.935 |
5 |
0 |
0 |
0.037 |
31 |
32 |
|
C |
5 |
3 |
17601 |
◊ |
C |
-x+1,-y,z |
2_655 |
5 |
3 |
17601 |
80.5 |
-2.5 |
0.047 |
0 |
0 |
0 |
0.002 |
32 |
33 |
|
[SO4]A:503 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17534 |
76.9 |
-10.6 |
0.874 |
3 |
0 |
0 |
0.035 |
33 |
34 |
|
[SO4]A:516 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17534 |
74.3 |
-9.6 |
0.889 |
3 |
0 |
0 |
0.032 |
34 |
35 |
|
[SO4]D:508 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
16719 |
71.9 |
-9.8 |
0.566 |
0 |
0 |
0 |
0.051 |
35 |
36 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17264 |
71.3 |
-10.7 |
0.600 |
3 |
0 |
0 |
0.062 |
36 |
37 |
|
[SO4]B:505 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17264 |
71.0 |
-9.0 |
0.852 |
3 |
0 |
0 |
0.053 |
37 |
38 |
|
[SO4]C:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17601 |
70.0 |
-9.6 |
0.901 |
3 |
0 |
0 |
0.032 |
38 |
39 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17534 |
69.9 |
-8.8 |
0.847 |
2 |
0 |
0 |
0.029 |
39 |
40 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
17601 |
69.4 |
-8.4 |
0.976 |
6 |
0 |
0 |
0.033 |
40 |
41 |
|
[SO4]C:503 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17601 |
68.2 |
-8.8 |
0.760 |
1 |
0 |
0 |
0.027 |
41 |
42 |
|
[SO4]D:503 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
16719 |
68.1 |
-9.7 |
0.876 |
3 |
0 |
0 |
0.057 |
42 |
43 |
|
[SO4]D:509 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
16719 |
67.4 |
-10.3 |
0.628 |
1 |
0 |
0 |
0.055 |
43 |
44 |
|
[SO4]A:506 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17534 |
66.2 |
-8.6 |
0.818 |
1 |
0 |
0 |
0.027 |
44 |
45 |
|
[SO4]A:509 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17534 |
65.7 |
-7.6 |
0.820 |
1 |
0 |
0 |
0.024 |
45 |
46 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
17534 |
65.2 |
-7.9 |
0.943 |
3 |
0 |
0 |
0.027 |
46 |
47 |
|
[SO4]A:512 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17534 |
62.2 |
-7.3 |
0.932 |
2 |
0 |
0 |
0.024 |
47 |
48 |
|
[SO4]A:515 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17534 |
60.7 |
-6.3 |
0.982 |
5 |
0 |
0 |
0.025 |
48 |
49 |
|
[MG]A:518 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17534 |
54.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.070 |
50 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
16719 |
36.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.070 |
51 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17264 |
35.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
42.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.070 |
49 |
52 |
|
A |
7 |
2 |
17534 |
◊ |
[SO4]D:506 |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
4 |
1 |
185 |
52.2 |
-5.8 |
0.914 |
2 |
0 |
0 |
0.018 |
50 |
53 |
|
A |
9 |
3 |
17534 |
f |
[SO4]D:507 |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
4 |
1 |
186 |
51.7 |
-6.4 |
0.793 |
0 |
0 |
0 |
0.019 |
51 |
54 |
|
[SO4]D:505 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
16719 |
48.6 |
-6.4 |
0.690 |
1 |
0 |
0 |
0.035 |
52 |
55 |
|
A |
4 |
3 |
17534 |
◊ |
[SO4]A:515 |
-y,x,z |
3_555 |
3 |
1 |
185 |
47.5 |
-6.5 |
0.459 |
0 |
0 |
0 |
0.018 |
53 |
56 |
|
[SO4]A:505 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
17601 |
45.5 |
-6.0 |
0.533 |
0 |
0 |
0 |
0.018 |
54 |
57 |
|
[MG]A:519 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17601 |
44.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.016 |
55 |
58 |
|
[SO4]A:517 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17534 |
44.2 |
-5.5 |
0.825 |
0 |
0 |
0 |
0.016 |
56 |
59 |
|
B |
8 |
3 |
17264 |
◊ |
C |
-y,x,z |
3_555 |
7 |
2 |
17601 |
43.6 |
1.1 |
0.837 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[SO4]C:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
17534 |
40.7 |
-5.1 |
0.404 |
0 |
0 |
0 |
0.015 |
58 |
61 |
|
[MG]A:519 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
17534 |
38.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
62 |
|
[SO4]D:507 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16719 |
35.5 |
-3.5 |
0.933 |
0 |
0 |
0 |
0.010 |
60 |
63 |
|
[SO4]B:507 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
17264 |
32.1 |
-2.9 |
0.917 |
1 |
0 |
0 |
0.009 |
61 |
64 |
|
[SO4]A:517 |
3 |
1 |
185 |
f |
[SO4]A:516 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.4 |
-7.0 |
0.995 |
0 |
0 |
0 |
0.021 |
62 |
65 |
|
[SO4]C:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17534 |
31.0 |
-3.6 |
0.329 |
0 |
0 |
0 |
0.011 |
63 |
66 |
|
[MG]A:518 |
1 |
1 |
98 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.019 |
64 |
67 |
|
[SO4]D:509 |
4 |
1 |
185 |
f |
[SO4]D:503 |
x,y,z |
1_555 |
4 |
1 |
184 |
28.2 |
-6.2 |
0.998 |
0 |
0 |
0 |
0.032 |
65 |
68 |
|
[SO4]A:514 |
3 |
1 |
184 |
f |
[SO4]A:504 |
x,y,z |
1_555 |
3 |
1 |
187 |
28.0 |
-6.3 |
0.992 |
0 |
0 |
0 |
0.019 |
66 |
69 |
|
[SO4]A:517 |
3 |
1 |
185 |
f |
[SO4]A:509 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.5 |
-6.4 |
0.992 |
0 |
0 |
0 |
0.019 |
67 |
70 |
|
[SAL]B:502 |
3 |
1 |
273 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.034 |
71 |
|
[SAL]D:502 |
3 |
1 |
272 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
26.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.034 |
68 |
72 |
|
[SAL]D:502 |
5 |
1 |
272 |
f |
[SO4]D:504 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.3 |
-2.9 |
0.448 |
0 |
0 |
0 |
0.015 |
69 |
73 |
|
[SAL]B:502 |
5 |
1 |
273 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
2 |
1 |
183 |
25.5 |
-2.9 |
0.473 |
0 |
0 |
0 |
0.015 |
70 |
74 |
|
[SO4]A:516 |
3 |
1 |
185 |
f |
[SO4]A:512 |
x,y,z |
1_555 |
1 |
1 |
186 |
13.2 |
-3.0 |
0.891 |
0 |
0 |
0 |
0.009 |
71 |
75 |
|
A |
1 |
1 |
17534 |
◊ |
[SO4]A:506 |
-y,x,z |
3_555 |
1 |
1 |
184 |
4.0 |
-0.6 |
0.568 |
0 |
0 |
0 |
0.002 |
72 |
76 |
|
A |
1 |
1 |
17534 |
◊ |
[SO4]D:508 |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
1 |
1 |
185 |
1.5 |
-0.2 |
0.852 |
0 |
0 |
0 |
0.000 |
|