## |
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 |
|
B |
294 |
81 |
24212 |
◊ |
A |
x,y,z |
1_555 |
316 |
93 |
24120 |
2974.1 |
-27.7 |
0.037 |
42 |
18 |
0 |
0.412 |
2 |
|
D |
312 |
92 |
24404 |
◊ |
A |
-x,-y,z |
2_555 |
294 |
82 |
24120 |
2946.1 |
-27.6 |
0.043 |
47 |
16 |
0 |
0.412 |
3 |
|
D |
294 |
81 |
24404 |
◊ |
C |
x,y,z |
1_555 |
305 |
90 |
24501 |
2885.1 |
-28.4 |
0.030 |
43 |
17 |
0 |
0.412 |
4 |
|
C |
300 |
85 |
24501 |
◊ |
B |
x,y,z |
1_555 |
296 |
88 |
24212 |
2817.6 |
-29.5 |
0.022 |
38 |
15 |
0 |
0.412 |
Average: |
2905.7 |
-28.3 |
0.033 |
43 |
17 |
0 |
0.412 |
2 |
5 |
|
C |
86 |
24 |
24501 |
◊ |
A |
-x,y,-z |
3_555 |
83 |
22 |
24120 |
890.2 |
6.4 |
0.916 |
20 |
25 |
0 |
0.024 |
6 |
|
D |
85 |
23 |
24404 |
◊ |
D |
x,-y,-z |
4_555 |
85 |
23 |
24404 |
884.8 |
5.0 |
0.881 |
14 |
20 |
0 |
0.024 |
7 |
|
B |
80 |
22 |
24212 |
◊ |
B |
-x,y,-z |
3_555 |
80 |
22 |
24212 |
864.6 |
5.6 |
0.911 |
18 |
28 |
0 |
0.024 |
Average: |
879.9 |
5.6 |
0.903 |
17 |
24 |
0 |
0.024 |
3 |
8 |
|
[ANP]B:545 |
31 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
68 |
31 |
24212 |
452.0 |
-3.4 |
0.485 |
15 |
0 |
0 |
0.083 |
9 |
|
[ANP]C:545 |
31 |
1 |
635 |
f |
C |
x,y,z |
1_555 |
62 |
31 |
24501 |
450.7 |
-3.4 |
0.447 |
15 |
0 |
0 |
0.083 |
10 |
|
[ANP]A:545 |
30 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
65 |
31 |
24120 |
449.1 |
-3.6 |
0.466 |
15 |
0 |
0 |
0.083 |
11 |
|
[ANP]D:545 |
31 |
1 |
640 |
f |
D |
x,y,z |
1_555 |
67 |
31 |
24404 |
448.9 |
-3.3 |
0.480 |
14 |
0 |
0 |
0.083 |
Average: |
450.2 |
-3.4 |
0.470 |
15 |
0 |
0 |
0.083 |
4 |
12 |
|
A |
45 |
15 |
24120 |
◊ |
C |
x-1/2,-y+1/2,-z-1/2 |
8_454 |
45 |
16 |
24501 |
333.3 |
0.4 |
0.631 |
6 |
1 |
0 |
0.000 |
5 |
13 |
|
A |
30 |
9 |
24120 |
◊ |
B |
x-1/2,-y+1/2,-z-1/2 |
8_454 |
29 |
10 |
24212 |
239.1 |
1.0 |
0.714 |
4 |
3 |
0 |
0.000 |
6 |
14 |
|
[SO4]B:546 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
24212 |
96.9 |
-13.7 |
0.753 |
2 |
0 |
0 |
0.030 |
7 |
15 |
|
[SO4]D:546 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
24404 |
94.9 |
-13.2 |
0.853 |
6 |
0 |
0 |
0.033 |
8 |
16 |
|
[SO4]C:546 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
24501 |
93.5 |
-13.7 |
0.723 |
3 |
0 |
0 |
0.031 |
9 |
17 |
|
[SO4]A:546 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
24120 |
89.5 |
-12.6 |
0.881 |
3 |
0 |
0 |
0.029 |
10 |
18 |
|
[SO4]D:547 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
24404 |
79.7 |
-10.5 |
0.858 |
3 |
0 |
0 |
0.024 |
11 |
19 |
|
[SO4]C:547 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
24501 |
79.7 |
-10.6 |
0.885 |
2 |
0 |
0 |
0.024 |
12 |
20 |
|
D |
10 |
3 |
24404 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
11 |
4 |
24212 |
78.9 |
0.1 |
0.586 |
1 |
1 |
0 |
0.000 |
13 |
21 |
|
[SO4]A:547 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
24120 |
77.9 |
-10.0 |
0.927 |
1 |
0 |
0 |
0.022 |
14 |
22 |
|
[SO4]B:547 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
24212 |
74.4 |
-9.8 |
0.895 |
3 |
0 |
0 |
0.023 |
15 |
23 |
|
[SO4]A:548 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24120 |
70.2 |
-8.6 |
0.942 |
3 |
0 |
0 |
0.021 |
16 |
24 |
|
[SO4]B:548 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
24212 |
66.1 |
-8.8 |
0.865 |
2 |
0 |
0 |
0.020 |
17 |
25 |
|
[SO4]D:548 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
24404 |
66.1 |
-9.3 |
0.753 |
2 |
0 |
0 |
0.021 |
18 |
26 |
|
[SO4]C:548 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
24501 |
63.3 |
-8.5 |
0.784 |
2 |
0 |
0 |
0.020 |
19 |
27 |
|
[MG]B:549 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
24212 |
60.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.070 |
28 |
|
[MG]D:549 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
24404 |
60.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.070 |
29 |
|
[MG]A:549 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
24120 |
58.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.070 |
30 |
|
[MG]C:549 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
24501 |
58.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
59.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.070 |
20 |
31 |
|
D |
10 |
5 |
24404 |
◊ |
A |
-x,y,-z |
3_555 |
5 |
4 |
24120 |
58.0 |
-0.5 |
0.480 |
0 |
0 |
0 |
0.002 |
32 |
|
C |
7 |
3 |
24501 |
◊ |
B |
-x,y,-z |
3_555 |
5 |
4 |
24212 |
43.3 |
-0.6 |
0.404 |
0 |
0 |
0 |
0.002 |
Average: |
50.6 |
-0.5 |
0.442 |
0 |
0 |
0 |
0.002 |
21 |
33 |
|
[MG]B:544 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
24212 |
41.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
34 |
|
[MG]A:544 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
24120 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
35 |
|
[MG]D:544 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
24404 |
41.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
36 |
|
[MG]C:544 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
24501 |
41.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
41.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
22 |
37 |
|
[SO4]B:547 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
24501 |
37.4 |
-3.9 |
0.893 |
2 |
0 |
0 |
0.010 |
23 |
38 |
|
[SO4]C:547 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
24404 |
37.4 |
-4.5 |
0.422 |
0 |
0 |
0 |
0.009 |
24 |
39 |
|
[SO4]D:547 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
4 |
2 |
24120 |
35.9 |
-3.6 |
0.912 |
2 |
0 |
0 |
0.009 |
25 |
40 |
|
[SO4]A:547 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24212 |
35.6 |
-4.4 |
0.614 |
0 |
0 |
0 |
0.009 |
26 |
41 |
|
[ANP]C:545 |
4 |
1 |
635 |
f |
[MG]C:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
|
[ANP]B:545 |
4 |
1 |
637 |
f |
[MG]B:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.044 |
43 |
|
[ANP]D:545 |
4 |
1 |
640 |
f |
[MG]D:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
44 |
|
[ANP]A:545 |
4 |
1 |
635 |
f |
[MG]A:544 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
35.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
45 |
|
D |
4 |
2 |
24404 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
24212 |
35.3 |
-0.8 |
0.208 |
0 |
0 |
0 |
0.006 |
46 |
|
C |
3 |
2 |
24501 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
1 |
24120 |
34.9 |
-0.8 |
0.199 |
0 |
0 |
0 |
0.006 |
47 |
|
D |
3 |
2 |
24404 |
◊ |
B |
-x,-y,z |
2_555 |
3 |
1 |
24212 |
32.5 |
-0.7 |
0.238 |
0 |
0 |
0 |
0.006 |
48 |
|
C |
3 |
1 |
24501 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
24120 |
30.8 |
-0.7 |
0.248 |
0 |
0 |
0 |
0.006 |
Average: |
33.4 |
-0.8 |
0.223 |
0 |
0 |
0 |
0.006 |
28 |
49 |
|
D |
4 |
3 |
24404 |
◊ |
D |
-x+1,-y,z |
2_655 |
4 |
3 |
24404 |
31.2 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[ANP]C:545 |
4 |
1 |
635 |
f |
[MG]C:549 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
51 |
|
[ANP]D:545 |
4 |
1 |
640 |
f |
[MG]D:549 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
|
[ANP]A:545 |
4 |
1 |
635 |
f |
[MG]A:549 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
53 |
|
[ANP]B:545 |
3 |
1 |
637 |
f |
[MG]B:549 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
30 |
54 |
|
[SO4]D:546 |
1 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
24120 |
7.6 |
-0.6 |
0.849 |
0 |
0 |
0 |
0.001 |
|