| ## |
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 |
|
N |
368 |
94 |
13584 |
◊ |
B |
x,y,z |
1_555 |
344 |
81 |
11579 |
3548.5 |
-28.4 |
0.243 |
58 |
20 |
0 |
0.806 |
2 |
|
O |
364 |
93 |
13528 |
◊ |
C |
x,y,z |
1_555 |
344 |
81 |
11564 |
3543.2 |
-28.2 |
0.236 |
57 |
22 |
0 |
0.806 |
3 |
|
M |
371 |
94 |
13521 |
◊ |
A |
x,y,z |
1_555 |
346 |
82 |
11571 |
3542.0 |
-27.9 |
0.298 |
54 |
21 |
0 |
0.806 |
4 |
|
P |
366 |
94 |
13533 |
◊ |
D |
x,y,z |
1_555 |
345 |
81 |
11523 |
3534.9 |
-27.3 |
0.272 |
54 |
21 |
0 |
0.806 |
5 |
|
R |
374 |
95 |
13497 |
◊ |
F |
x,y,z |
1_555 |
343 |
81 |
11494 |
3532.2 |
-29.7 |
0.219 |
56 |
19 |
0 |
0.806 |
6 |
|
Q |
359 |
94 |
13507 |
◊ |
E |
x,y,z |
1_555 |
340 |
81 |
11560 |
3528.5 |
-29.5 |
0.264 |
58 |
22 |
0 |
0.806 |
| Average: |
3538.2 |
-28.5 |
0.255 |
56 |
21 |
0 |
0.806 |
| 2 |
7 |
|
N |
169 |
42 |
13584 |
◊ |
N |
-x,y,-z |
2_555 |
169 |
42 |
13584 |
1629.9 |
-31.6 |
0.022 |
6 |
0 |
0 |
0.613 |
8 |
|
Q |
166 |
42 |
13507 |
◊ |
Q |
-x,y,-z |
2_555 |
165 |
42 |
13507 |
1612.8 |
-31.9 |
0.018 |
6 |
0 |
0 |
0.613 |
9 |
|
R |
165 |
42 |
13497 |
◊ |
O |
-x,y,-z |
2_555 |
165 |
42 |
13528 |
1594.1 |
-31.4 |
0.019 |
6 |
0 |
0 |
0.613 |
10 |
|
P |
170 |
42 |
13533 |
◊ |
M |
x,y,z |
1_555 |
165 |
41 |
13521 |
1593.5 |
-31.6 |
0.021 |
6 |
0 |
0 |
0.613 |
| Average: |
1607.6 |
-31.6 |
0.020 |
6 |
0 |
0 |
0.613 |
| 3 |
11 |
|
P |
40 |
13 |
13533 |
◊ |
N |
x,y,z |
1_555 |
33 |
9 |
13584 |
359.8 |
-1.4 |
0.531 |
6 |
0 |
0 |
0.119 |
12 |
|
P |
33 |
8 |
13533 |
◊ |
O |
-x,y,-z |
2_555 |
41 |
13 |
13528 |
358.1 |
-2.0 |
0.488 |
7 |
0 |
0 |
0.119 |
13 |
|
O |
33 |
9 |
13528 |
◊ |
N |
-x,y,-z |
2_555 |
41 |
13 |
13584 |
355.8 |
-1.7 |
0.512 |
6 |
0 |
0 |
0.119 |
14 |
|
Q |
32 |
7 |
13507 |
◊ |
M |
x,y,z |
1_555 |
40 |
13 |
13521 |
354.6 |
-1.8 |
0.479 |
6 |
0 |
0 |
0.119 |
15 |
|
R |
33 |
9 |
13497 |
◊ |
Q |
-x,y,-z |
2_555 |
38 |
13 |
13507 |
353.6 |
-2.0 |
0.513 |
4 |
0 |
0 |
0.119 |
16 |
|
R |
41 |
13 |
13497 |
◊ |
M |
-x,y,-z |
2_555 |
33 |
9 |
13521 |
353.5 |
-1.9 |
0.480 |
6 |
0 |
0 |
0.119 |
| Average: |
355.9 |
-1.8 |
0.500 |
6 |
0 |
0 |
0.119 |
| 4 |
17 |
|
R |
35 |
11 |
13497 |
◊ |
Q |
x,y,z |
1_555 |
33 |
10 |
13507 |
351.8 |
-1.5 |
0.687 |
5 |
2 |
0 |
0.110 |
18 |
|
R |
32 |
10 |
13497 |
◊ |
P |
x,y,z |
1_555 |
37 |
12 |
13533 |
346.6 |
-1.5 |
0.677 |
4 |
1 |
0 |
0.110 |
19 |
|
Q |
34 |
11 |
13507 |
◊ |
P |
x,y,z |
1_555 |
35 |
10 |
13533 |
345.1 |
-2.0 |
0.629 |
5 |
1 |
0 |
0.110 |
20 |
|
O |
36 |
11 |
13528 |
◊ |
N |
x,y,z |
1_555 |
33 |
10 |
13584 |
342.3 |
-2.2 |
0.610 |
4 |
1 |
0 |
0.110 |
21 |
|
O |
33 |
10 |
13528 |
◊ |
M |
x,y,z |
1_555 |
33 |
11 |
13521 |
339.9 |
-1.7 |
0.647 |
5 |
1 |
0 |
0.110 |
22 |
|
N |
35 |
12 |
13584 |
◊ |
M |
x,y,z |
1_555 |
34 |
10 |
13521 |
337.1 |
-1.5 |
0.683 |
5 |
2 |
0 |
0.110 |
| Average: |
343.8 |
-1.7 |
0.656 |
5 |
1 |
0 |
0.110 |
| 5 |
23 |
|
N |
24 |
7 |
13584 |
◊ |
C |
-x,y,-z |
2_555 |
18 |
4 |
11564 |
214.1 |
-3.0 |
0.173 |
3 |
2 |
0 |
0.042 |
24 |
|
R |
25 |
7 |
13497 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
4 |
11571 |
213.4 |
-3.0 |
0.177 |
3 |
2 |
0 |
0.042 |
25 |
|
O |
25 |
7 |
13528 |
◊ |
D |
-x,y,-z |
2_555 |
18 |
4 |
11523 |
211.9 |
-3.0 |
0.167 |
2 |
2 |
0 |
0.042 |
26 |
|
P |
25 |
7 |
13533 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
11579 |
211.2 |
-3.0 |
0.185 |
2 |
2 |
0 |
0.042 |
27 |
|
Q |
26 |
7 |
13507 |
◊ |
F |
-x,y,-z |
2_555 |
18 |
4 |
11494 |
211.1 |
-2.8 |
0.168 |
2 |
2 |
0 |
0.042 |
28 |
|
M |
24 |
7 |
13521 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
11560 |
211.0 |
-3.0 |
0.170 |
2 |
2 |
0 |
0.042 |
| Average: |
212.1 |
-3.0 |
0.173 |
2 |
2 |
0 |
0.042 |
| 6 |
29 |
|
R |
15 |
7 |
13497 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
11523 |
153.9 |
-2.1 |
0.333 |
0 |
0 |
0 |
0.022 |
30 |
|
N |
15 |
7 |
13584 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
11564 |
152.2 |
-2.2 |
0.305 |
0 |
0 |
0 |
0.022 |
31 |
|
Q |
15 |
7 |
13507 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
11494 |
150.7 |
-2.4 |
0.265 |
0 |
0 |
0 |
0.022 |
32 |
|
O |
15 |
7 |
13528 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
11571 |
148.1 |
-2.3 |
0.297 |
0 |
0 |
0 |
0.022 |
33 |
|
M |
18 |
8 |
13521 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
11579 |
146.2 |
-2.4 |
0.315 |
0 |
0 |
0 |
0.022 |
34 |
|
P |
17 |
7 |
13533 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
11560 |
145.0 |
-2.3 |
0.325 |
0 |
0 |
0 |
0.022 |
| Average: |
149.4 |
-2.3 |
0.307 |
0 |
0 |
0 |
0.022 |
| 7 |
35 |
|
F |
13 |
6 |
11494 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
11523 |
140.1 |
1.1 |
0.774 |
1 |
3 |
0 |
0.000 |
36 |
|
C |
15 |
4 |
11564 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11579 |
138.0 |
1.6 |
0.805 |
2 |
2 |
0 |
0.000 |
37 |
|
B |
15 |
4 |
11579 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11571 |
135.0 |
1.0 |
0.750 |
2 |
3 |
0 |
0.000 |
38 |
|
E |
14 |
4 |
11560 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
11523 |
132.8 |
1.3 |
0.807 |
1 |
3 |
0 |
0.000 |
39 |
|
F |
15 |
4 |
11494 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
11560 |
130.8 |
1.1 |
0.760 |
1 |
2 |
0 |
0.000 |
40 |
|
C |
12 |
4 |
11564 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11571 |
122.5 |
0.9 |
0.760 |
1 |
1 |
0 |
0.000 |
| Average: |
133.2 |
1.2 |
0.776 |
1 |
2 |
0 |
0.000 |
| 8 |
41 |
|
P |
11 |
5 |
13533 |
◊ |
D |
-x,y,-z+1 |
2_556 |
12 |
3 |
11523 |
92.8 |
-1.0 |
0.360 |
0 |
0 |
0 |
0.000 |
| 9 |
42 |
|
[FE]R:600 |
1 |
1 |
137 |
cf |
R |
x,y,z |
1_555 |
6 |
4 |
13497 |
64.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.394 |
43 |
|
[FE]P:600 |
1 |
1 |
137 |
cf |
P |
x,y,z |
1_555 |
6 |
4 |
13533 |
64.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.394 |
44 |
|
[FE]M:600 |
1 |
1 |
137 |
cf |
M |
x,y,z |
1_555 |
6 |
4 |
13521 |
63.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.394 |
45 |
|
[FE]N:600 |
1 |
1 |
137 |
cf |
N |
x,y,z |
1_555 |
6 |
4 |
13584 |
63.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.394 |
46 |
|
[FE]Q:600 |
1 |
1 |
137 |
cf |
Q |
x,y,z |
1_555 |
7 |
4 |
13507 |
62.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.394 |
47 |
|
[FE]O:600 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
7 |
4 |
13528 |
62.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.394 |
| Average: |
63.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.394 |
| 10 |
48 |
|
R |
3 |
1 |
13497 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11560 |
40.3 |
1.0 |
0.898 |
2 |
0 |
0 |
0.000 |
49 |
|
O |
3 |
1 |
13528 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11579 |
39.6 |
0.9 |
0.892 |
2 |
0 |
0 |
0.000 |
50 |
|
P |
3 |
1 |
13533 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11494 |
39.5 |
1.0 |
0.894 |
2 |
0 |
0 |
0.000 |
51 |
|
N |
3 |
1 |
13584 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11571 |
39.2 |
0.9 |
0.890 |
2 |
0 |
0 |
0.000 |
52 |
|
Q |
3 |
1 |
13507 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11523 |
38.0 |
0.9 |
0.891 |
2 |
0 |
0 |
0.000 |
53 |
|
M |
3 |
1 |
13521 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11564 |
37.7 |
0.9 |
0.891 |
2 |
0 |
0 |
0.000 |
| Average: |
39.1 |
0.9 |
0.893 |
2 |
0 |
0 |
0.000 |
| 11 |
54 |
|
E |
2 |
1 |
11560 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
11579 |
34.3 |
-1.1 |
0.094 |
0 |
0 |
0 |
0.000 |
| 12 |
55 |
|
[FE]Q:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
11560 |
27.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
|
[FE]O:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11564 |
27.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
|
[FE]N:600 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11579 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
58 |
|
[FE]M:600 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11571 |
25.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
59 |
|
[FE]P:600 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
11523 |
24.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.044 |
60 |
|
[FE]R:600 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
11494 |
23.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
25.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| 13 |
61 |
|
D |
1 |
1 |
11523 |
◊ |
D |
-x,y,-z+1 |
2_556 |
1 |
1 |
11523 |
21.8 |
0.5 |
0.892 |
0 |
0 |
0 |
0.000 |
| 14 |
62 |
|
E |
2 |
2 |
11560 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
11571 |
7.3 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
| 15 |
63 |
|
A |
1 |
1 |
11571 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
11579 |
0.4 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|