| ## |
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 |
516 |
128 |
19359 |
◊ |
A |
x,y,z |
1_555 |
477 |
106 |
20289 |
4653.8 |
-35.6 |
0.122 |
64 |
26 |
0 |
0.487 |
2 |
|
D |
493 |
114 |
19362 |
◊ |
C |
x,y,z |
1_555 |
493 |
113 |
19259 |
4638.2 |
-41.9 |
0.073 |
47 |
26 |
0 |
0.487 |
| Average: |
4646.0 |
-38.8 |
0.097 |
56 |
26 |
0 |
0.487 |
| 2 |
3 |
|
D |
185 |
54 |
19362 |
◊ |
A |
x,y,z |
1_555 |
152 |
33 |
20289 |
1517.0 |
-6.5 |
0.501 |
19 |
8 |
0 |
0.171 |
4 |
|
C |
122 |
31 |
19259 |
◊ |
B |
x,y,z |
1_555 |
130 |
31 |
19359 |
1174.0 |
-11.8 |
0.164 |
4 |
6 |
0 |
0.171 |
| Average: |
1345.5 |
-9.2 |
0.333 |
12 |
7 |
0 |
0.171 |
| 3 |
5 |
|
C |
145 |
47 |
19259 |
◊ |
A |
x,y,z |
1_555 |
118 |
28 |
20289 |
1173.9 |
-11.4 |
0.183 |
16 |
1 |
0 |
0.193 |
6 |
|
D |
96 |
27 |
19362 |
◊ |
B |
x,y,z |
1_555 |
94 |
25 |
19359 |
852.5 |
-16.1 |
0.022 |
0 |
0 |
0 |
0.193 |
| Average: |
1013.2 |
-13.7 |
0.102 |
8 |
1 |
0 |
0.193 |
| 4 |
7 |
|
[ANP]A:510 |
30 |
1 |
611 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
20289 |
397.6 |
-0.2 |
0.614 |
9 |
0 |
0 |
0.078 |
8 |
|
[ANP]D:3510 |
30 |
1 |
614 |
f |
D |
x,y,z |
1_555 |
53 |
21 |
19362 |
386.5 |
0.4 |
0.661 |
8 |
0 |
0 |
0.078 |
9 |
|
[ANP]C:2510 |
30 |
1 |
608 |
f |
C |
x,y,z |
1_555 |
56 |
22 |
19259 |
377.5 |
0.8 |
0.684 |
8 |
0 |
0 |
0.078 |
10 |
|
[ANP]B:4510 |
30 |
1 |
605 |
f |
B |
x,y,z |
1_555 |
58 |
22 |
19359 |
364.8 |
1.0 |
0.699 |
7 |
0 |
0 |
0.078 |
| Average: |
381.6 |
0.5 |
0.665 |
8 |
0 |
0 |
0.078 |
| 5 |
11 |
|
A |
49 |
14 |
20289 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
43 |
13 |
19359 |
396.3 |
-1.0 |
0.573 |
7 |
7 |
0 |
0.000 |
12 |
|
A |
34 |
11 |
20289 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
34 |
10 |
19259 |
311.6 |
-1.5 |
0.501 |
1 |
1 |
0 |
0.000 |
| Average: |
354.0 |
-1.2 |
0.537 |
4 |
4 |
0 |
0.000 |
| 6 |
13 |
|
B |
27 |
8 |
19359 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
29 |
9 |
19259 |
246.8 |
0.1 |
0.678 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
D |
26 |
6 |
19362 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
24 |
9 |
19259 |
224.5 |
-0.8 |
0.576 |
4 |
1 |
0 |
0.000 |
| 8 |
15 |
|
A |
21 |
7 |
20289 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
22 |
8 |
19259 |
177.8 |
-0.8 |
0.501 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
A |
15 |
3 |
20289 |
◊ |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
16 |
5 |
19362 |
151.7 |
1.3 |
0.787 |
3 |
4 |
0 |
0.000 |
| 10 |
17 |
|
B |
15 |
4 |
19359 |
x |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
14 |
3 |
19359 |
147.3 |
2.4 |
0.890 |
5 |
3 |
0 |
0.000 |
| 11 |
18 |
|
D |
11 |
5 |
19362 |
x |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
14 |
6 |
19362 |
107.7 |
-0.5 |
0.509 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[SO4]A:540 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20289 |
91.9 |
-14.5 |
0.712 |
7 |
0 |
0 |
0.186 |
| 13 |
20 |
|
[SO4]C:2540 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
19259 |
89.7 |
-14.0 |
0.708 |
4 |
0 |
0 |
0.187 |
| 14 |
21 |
|
[SO4]D:3540 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
19362 |
88.8 |
-13.7 |
0.719 |
7 |
0 |
0 |
0.193 |
| 15 |
22 |
|
[SO4]B:4540 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
19359 |
88.2 |
-13.5 |
0.687 |
6 |
0 |
0 |
0.190 |
| 16 |
23 |
|
B |
4 |
2 |
19359 |
x |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
12 |
6 |
19259 |
80.7 |
1.8 |
0.873 |
1 |
1 |
0 |
0.000 |
24 |
|
A |
4 |
2 |
20289 |
x |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
4 |
3 |
20289 |
55.0 |
0.6 |
0.635 |
0 |
1 |
0 |
0.000 |
| Average: |
67.9 |
1.2 |
0.754 |
1 |
1 |
0 |
0.000 |
| 17 |
25 |
|
[ANP]B:4510 |
9 |
1 |
605 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20289 |
73.1 |
-1.9 |
0.399 |
3 |
0 |
0 |
0.022 |
| 18 |
26 |
|
[ANP]D:3510 |
9 |
1 |
614 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20289 |
72.1 |
-2.0 |
0.400 |
2 |
0 |
0 |
0.031 |
| 19 |
27 |
|
[ANP]C:2510 |
9 |
1 |
608 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20289 |
70.0 |
-1.9 |
0.402 |
3 |
0 |
0 |
0.034 |
| 20 |
28 |
|
[ANP]B:4510 |
9 |
1 |
605 |
f |
[SO4]B:4540 |
x,y,z |
1_555 |
4 |
1 |
185 |
51.2 |
-7.2 |
0.625 |
0 |
0 |
0 |
0.085 |
| 21 |
29 |
|
[ANP]C:2510 |
8 |
1 |
608 |
f |
[SO4]C:2540 |
x,y,z |
1_555 |
4 |
1 |
184 |
45.8 |
-6.5 |
0.626 |
0 |
0 |
0 |
0.077 |
| 22 |
30 |
|
C |
5 |
3 |
19259 |
◊ |
D |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
2 |
19362 |
42.9 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[ANP]D:3510 |
7 |
1 |
614 |
f |
[SO4]D:3540 |
x,y,z |
1_555 |
4 |
1 |
184 |
40.2 |
-5.8 |
0.603 |
0 |
0 |
0 |
0.067 |
| 24 |
32 |
|
[MG]A:550 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20289 |
39.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.068 |
33 |
|
[MG]C:2550 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
19259 |
28.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.068 |
34 |
|
[MG]D:3550 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
19362 |
28.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.068 |
35 |
|
[MG]B:4550 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
19359 |
23.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
29.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.068 |
| 25 |
36 |
|
[ANP]A:510 |
6 |
1 |
611 |
f |
[MG]A:550 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.133 |
37 |
|
[ANP]B:4510 |
5 |
1 |
605 |
f |
[MG]B:4550 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.133 |
38 |
|
[ANP]C:2510 |
5 |
1 |
608 |
f |
[MG]C:2550 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.133 |
39 |
|
[ANP]D:3510 |
6 |
1 |
614 |
f |
[MG]D:3550 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.133 |
| Average: |
37.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.133 |
| 26 |
40 |
|
[ANP]A:510 |
6 |
1 |
611 |
f |
[SO4]A:540 |
x,y,z |
1_555 |
4 |
1 |
183 |
38.8 |
-5.9 |
0.587 |
0 |
0 |
0 |
0.062 |
| 27 |
41 |
|
B |
3 |
1 |
19359 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
7 |
3 |
19362 |
38.0 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[MG]D:3550 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20289 |
13.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| 29 |
43 |
|
[MG]B:4550 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20289 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 30 |
44 |
|
[MG]C:2550 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20289 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 31 |
45 |
|
C |
2 |
1 |
19259 |
x |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
19259 |
10.8 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
1 |
1 |
20289 |
x |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
19362 |
2.7 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
6.8 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[MG]B:4550 |
1 |
1 |
98 |
f |
[SO4]B:4540 |
x,y,z |
1_555 |
3 |
1 |
185 |
10.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.024 |
48 |
|
[MG]A:550 |
1 |
1 |
98 |
f |
[SO4]A:540 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 33 |
49 |
|
[MG]C:2550 |
1 |
1 |
98 |
f |
[SO4]C:2540 |
x,y,z |
1_555 |
3 |
1 |
184 |
8.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 34 |
50 |
|
[MG]D:3550 |
1 |
1 |
98 |
f |
[SO4]D:3540 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 35 |
51 |
|
B |
1 |
1 |
19359 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
20289 |
0.8 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
|