| ## |
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 |
224 |
54 |
20207 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
217 |
57 |
20223 |
2140.9 |
-27.2 |
0.030 |
24 |
4 |
0 |
0.441 |
2 |
|
E |
218 |
54 |
19977 |
◊ |
D |
-x,y,-z+1/2 |
4_555 |
210 |
54 |
20112 |
2126.4 |
-28.8 |
0.021 |
29 |
3 |
0 |
0.441 |
3 |
|
F |
216 |
53 |
20111 |
◊ |
C |
-x,y,-z+1/2 |
4_555 |
220 |
55 |
20034 |
2106.1 |
-24.3 |
0.066 |
24 |
2 |
0 |
0.441 |
| Average: |
2124.5 |
-26.8 |
0.039 |
26 |
3 |
0 |
0.441 |
| 2 |
4 |
|
F |
176 |
51 |
20111 |
◊ |
A |
x,y,z |
1_555 |
176 |
47 |
20223 |
1733.8 |
-2.8 |
0.750 |
18 |
26 |
0 |
0.289 |
5 |
|
E |
180 |
48 |
19977 |
◊ |
D |
x,y,z |
1_555 |
178 |
52 |
20112 |
1705.6 |
0.8 |
0.851 |
23 |
15 |
0 |
0.289 |
6 |
|
B |
173 |
46 |
20207 |
◊ |
A |
x,y,z |
1_555 |
178 |
48 |
20223 |
1698.5 |
1.8 |
0.894 |
29 |
21 |
0 |
0.289 |
7 |
|
F |
182 |
48 |
20111 |
◊ |
E |
x,y,z |
1_555 |
177 |
51 |
19977 |
1686.6 |
-3.0 |
0.760 |
26 |
22 |
0 |
0.289 |
8 |
|
C |
175 |
48 |
20034 |
◊ |
B |
x,y,z |
1_555 |
171 |
49 |
20207 |
1677.1 |
-0.8 |
0.822 |
29 |
27 |
0 |
0.289 |
9 |
|
D |
173 |
48 |
20112 |
◊ |
C |
x,y,z |
1_555 |
173 |
50 |
20034 |
1629.1 |
1.5 |
0.890 |
26 |
15 |
0 |
0.289 |
| Average: |
1688.5 |
-0.4 |
0.828 |
25 |
21 |
0 |
0.289 |
| 3 |
10 |
|
B |
41 |
12 |
20207 |
◊ |
E |
x-1/2,y-1/2,z |
5_445 |
35 |
11 |
19977 |
381.2 |
3.4 |
0.910 |
7 |
1 |
0 |
0.000 |
11 |
|
C |
36 |
12 |
20034 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
12 |
20111 |
347.4 |
5.5 |
0.940 |
7 |
2 |
0 |
0.000 |
12 |
|
D |
34 |
11 |
20112 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
40 |
12 |
20223 |
327.3 |
3.6 |
0.914 |
4 |
0 |
0 |
0.000 |
| Average: |
352.0 |
4.2 |
0.922 |
6 |
1 |
0 |
0.000 |
| 4 |
13 |
|
[ADP]D:502 |
27 |
1 |
547 |
◊ |
D |
x,y,z |
1_555 |
47 |
18 |
20112 |
341.3 |
-0.1 |
0.807 |
7 |
0 |
0 |
0.011 |
| 5 |
14 |
|
[ADP]B:502 |
26 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
53 |
20 |
20207 |
335.0 |
-1.0 |
0.772 |
11 |
0 |
0 |
0.069 |
15 |
|
[ADP]C:502 |
26 |
1 |
553 |
f |
C |
x,y,z |
1_555 |
48 |
19 |
20034 |
332.1 |
-1.6 |
0.710 |
9 |
0 |
0 |
0.069 |
| Average: |
333.5 |
-1.3 |
0.741 |
10 |
0 |
0 |
0.069 |
| 6 |
16 |
|
[ADP]E:502 |
26 |
1 |
544 |
◊ |
E |
x,y,z |
1_555 |
49 |
18 |
19977 |
323.2 |
-1.4 |
0.718 |
6 |
0 |
0 |
0.025 |
17 |
|
[ADP]F:502 |
26 |
1 |
528 |
◊ |
F |
x,y,z |
1_555 |
47 |
17 |
20111 |
314.9 |
-1.5 |
0.730 |
5 |
0 |
0 |
0.025 |
| Average: |
319.1 |
-1.4 |
0.724 |
6 |
0 |
0 |
0.025 |
| 7 |
18 |
|
[ADP]A:502 |
26 |
1 |
548 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
20223 |
323.0 |
-1.4 |
0.723 |
6 |
0 |
0 |
0.013 |
| 8 |
19 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20223 |
114.5 |
-17.5 |
0.608 |
1 |
0 |
0 |
0.148 |
| 9 |
20 |
|
[SO4]A:505 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20223 |
102.4 |
-14.3 |
0.850 |
2 |
0 |
0 |
0.126 |
| 10 |
21 |
|
[SO4]E:505 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
19977 |
93.6 |
-14.3 |
0.827 |
3 |
0 |
0 |
0.164 |
| 11 |
22 |
|
[ADP]A:502 |
7 |
1 |
548 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20207 |
89.0 |
-4.3 |
0.307 |
2 |
0 |
0 |
0.043 |
| 12 |
23 |
|
[ADP]B:502 |
6 |
1 |
549 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
20034 |
85.5 |
-3.9 |
0.284 |
1 |
0 |
0 |
0.027 |
24 |
|
[ADP]C:502 |
8 |
1 |
553 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
20112 |
77.8 |
-3.5 |
0.397 |
1 |
0 |
0 |
0.027 |
| Average: |
81.7 |
-3.7 |
0.341 |
1 |
0 |
0 |
0.027 |
| 13 |
25 |
|
[ADP]E:502 |
6 |
1 |
544 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
20111 |
83.7 |
-4.8 |
0.217 |
2 |
0 |
0 |
0.071 |
| 14 |
26 |
|
[ADP]D:502 |
7 |
1 |
547 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
19977 |
81.3 |
-4.3 |
0.298 |
1 |
0 |
0 |
0.049 |
| 15 |
27 |
|
[ADP]F:502 |
8 |
1 |
528 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20223 |
75.3 |
-2.7 |
0.457 |
2 |
0 |
0 |
0.029 |
| 16 |
28 |
|
C |
12 |
5 |
20034 |
◊ |
A |
x-1/2,-y+1/2,-z |
7_455 |
9 |
3 |
20223 |
73.0 |
0.7 |
0.767 |
1 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
20223 |
56.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.215 |
30 |
|
[MG]F:504 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
20111 |
56.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.215 |
31 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
20034 |
54.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.215 |
32 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
20207 |
54.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.215 |
33 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
20112 |
53.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.215 |
34 |
|
[MG]E:504 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
8 |
19977 |
52.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
54.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.215 |
| 18 |
35 |
|
D |
5 |
2 |
20112 |
◊ |
D |
-x,y,-z+1/2 |
4_555 |
5 |
2 |
20112 |
56.2 |
-1.1 |
0.231 |
0 |
0 |
0 |
0.004 |
36 |
|
A |
6 |
2 |
20223 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
6 |
2 |
20223 |
48.8 |
-0.9 |
0.332 |
0 |
0 |
0 |
0.004 |
37 |
|
E |
6 |
2 |
19977 |
◊ |
C |
-x,y,-z+1/2 |
4_555 |
5 |
2 |
20034 |
42.9 |
0.0 |
0.653 |
0 |
0 |
0 |
0.004 |
38 |
|
F |
3 |
2 |
20111 |
◊ |
B |
-x,y,-z+1/2 |
4_555 |
4 |
2 |
20207 |
32.9 |
-0.7 |
0.280 |
0 |
0 |
0 |
0.004 |
| Average: |
45.2 |
-0.7 |
0.374 |
0 |
0 |
0 |
0.004 |
| 19 |
39 |
|
[MG]F:503 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
20111 |
47.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.159 |
40 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20223 |
47.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.159 |
41 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20207 |
45.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.159 |
42 |
|
[MG]D:504 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
20112 |
43.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.159 |
43 |
|
[MG]E:503 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
19977 |
42.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.159 |
44 |
|
[MG]C:504 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20034 |
42.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
44.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.159 |
| 20 |
45 |
|
C |
6 |
3 |
20034 |
◊ |
F |
x-1/2,-y+1/2,-z |
7_455 |
3 |
2 |
20111 |
28.7 |
0.3 |
0.720 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
[MG]D:504 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
19977 |
26.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.041 |
47 |
|
[MG]E:503 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
20111 |
24.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.041 |
48 |
|
[MG]B:504 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20034 |
22.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.041 |
49 |
|
[MG]C:504 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20112 |
21.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
50 |
|
[MG]A:503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20207 |
21.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.041 |
51 |
|
[MG]F:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20223 |
18.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
22.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 22 |
52 |
|
[MG]C:504 |
1 |
1 |
98 |
f |
[MG]C:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| 23 |
53 |
|
[MG]E:504 |
1 |
1 |
98 |
f |
[MG]E:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 24 |
54 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 25 |
55 |
|
[MG]F:504 |
1 |
1 |
98 |
f |
[MG]F:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 26 |
56 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 27 |
57 |
|
[MG]D:504 |
1 |
1 |
98 |
f |
[MG]D:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 28 |
58 |
|
B |
1 |
1 |
20207 |
◊ |
F |
x-1/2,-y+1/2,-z |
7_455 |
2 |
1 |
20111 |
4.2 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| 29 |
59 |
|
D |
1 |
1 |
20112 |
◊ |
A |
x-1/2,-y+1/2,-z |
7_455 |
1 |
1 |
20223 |
3.1 |
0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 30 |
60 |
|
[MG]E:504 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
20111 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
61 |
|
[MG]D:503 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
19977 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|