| ## |
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 |
79 |
26 |
11958 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
78 |
25 |
11952 |
659.4 |
-6.0 |
0.497 |
7 |
0 |
0 |
0.000 |
2 |
|
D |
75 |
25 |
11969 |
◊ |
A |
x,y,z |
1_555 |
75 |
23 |
11868 |
641.3 |
-6.8 |
0.415 |
5 |
0 |
0 |
0.000 |
| Average: |
650.4 |
-6.4 |
0.456 |
6 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
76 |
18 |
11958 |
◊ |
A |
x,y,z |
1_555 |
75 |
17 |
11868 |
601.6 |
-8.8 |
0.274 |
4 |
0 |
0 |
0.000 |
4 |
|
D |
72 |
17 |
11969 |
◊ |
C |
x,y,z |
1_555 |
73 |
17 |
11952 |
582.5 |
-9.1 |
0.230 |
4 |
0 |
0 |
0.000 |
| Average: |
592.0 |
-9.0 |
0.252 |
4 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[5R6]C:302 |
45 |
1 |
884 |
f |
C |
x,y,z |
1_555 |
73 |
23 |
11952 |
516.6 |
-6.7 |
0.559 |
4 |
0 |
0 |
0.034 |
6 |
|
[5R6]A:302 |
46 |
1 |
880 |
f |
A |
x,y,z |
1_555 |
66 |
22 |
11868 |
501.6 |
-6.5 |
0.592 |
4 |
0 |
0 |
0.034 |
7 |
|
[5R6]B:302 |
43 |
1 |
875 |
f |
B |
x,y,z |
1_555 |
70 |
20 |
11958 |
484.8 |
-6.3 |
0.591 |
3 |
0 |
0 |
0.034 |
8 |
|
[5R6]D:302 |
45 |
1 |
865 |
f |
D |
x,y,z |
1_555 |
70 |
22 |
11969 |
481.7 |
-6.0 |
0.630 |
3 |
0 |
0 |
0.034 |
| Average: |
496.2 |
-6.4 |
0.593 |
4 |
0 |
0 |
0.034 |
| 4 |
9 |
|
B |
42 |
10 |
11958 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
11 |
11952 |
300.4 |
1.7 |
0.875 |
4 |
7 |
0 |
0.000 |
| 5 |
10 |
|
A |
25 |
7 |
11868 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
7 |
11868 |
211.0 |
-0.9 |
0.600 |
1 |
2 |
0 |
0.000 |
| 6 |
11 |
|
A |
23 |
8 |
11868 |
◊ |
[5R6]A:302 |
x-1/2,-y+1/2,-z |
4_455 |
11 |
1 |
880 |
153.1 |
-2.5 |
0.442 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[AKG]C:301 |
10 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
26 |
15 |
11952 |
152.5 |
1.8 |
0.550 |
7 |
0 |
0 |
0.006 |
13 |
|
[AKG]A:301 |
10 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
26 |
15 |
11868 |
152.2 |
1.5 |
0.545 |
7 |
0 |
0 |
0.006 |
| Average: |
152.3 |
1.7 |
0.548 |
7 |
0 |
0 |
0.006 |
| 8 |
14 |
|
[AKG]B:301 |
10 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
27 |
16 |
11958 |
151.9 |
1.7 |
0.591 |
6 |
0 |
0 |
0.004 |
| 9 |
15 |
|
[AKG]D:301 |
10 |
1 |
283 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
11969 |
151.1 |
1.4 |
0.561 |
6 |
0 |
0 |
0.005 |
| 10 |
16 |
|
C |
14 |
7 |
11952 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11868 |
125.2 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
11 |
4 |
11958 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
4 |
11969 |
95.5 |
1.2 |
0.842 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
8 |
3 |
11969 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11958 |
89.8 |
1.5 |
0.893 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
10 |
3 |
11868 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
11952 |
77.4 |
1.1 |
0.860 |
0 |
0 |
0 |
0.000 |
| Average: |
97.0 |
1.1 |
0.842 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
D |
10 |
3 |
11969 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
11969 |
79.0 |
1.0 |
0.793 |
1 |
3 |
0 |
0.000 |
| 12 |
21 |
|
[FE]D:300 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
12 |
7 |
11969 |
49.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.035 |
22 |
|
[FE]C:300 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
12 |
7 |
11952 |
49.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.035 |
23 |
|
[FE]A:300 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11868 |
48.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.035 |
24 |
|
[FE]B:300 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
11958 |
48.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
48.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| 13 |
25 |
|
[AKG]C:301 |
4 |
1 |
284 |
f |
[FE]C:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
26 |
|
[AKG]B:301 |
4 |
1 |
289 |
f |
[FE]B:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
27 |
|
[AKG]A:301 |
4 |
1 |
287 |
f |
[FE]A:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
28 |
|
[AKG]D:301 |
4 |
1 |
283 |
f |
[FE]D:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
38.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 14 |
29 |
|
[5R6]D:302 |
2 |
1 |
865 |
f |
[AKG]D:301 |
x,y,z |
1_555 |
7 |
1 |
283 |
29.6 |
-0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
30 |
|
[5R6]B:302 |
2 |
1 |
875 |
f |
[AKG]B:301 |
x,y,z |
1_555 |
7 |
1 |
289 |
27.7 |
0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
| Average: |
28.6 |
-0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
| 15 |
31 |
|
[5R6]A:302 |
2 |
1 |
880 |
f |
[AKG]A:301 |
x,y,z |
1_555 |
6 |
1 |
287 |
28.5 |
0.0 |
0.306 |
0 |
0 |
0 |
0.000 |
32 |
|
[5R6]C:302 |
2 |
1 |
884 |
f |
[AKG]C:301 |
x,y,z |
1_555 |
7 |
1 |
284 |
26.6 |
0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
0.1 |
0.296 |
0 |
0 |
0 |
0.000 |
| 16 |
33 |
|
[5R6]B:302 |
6 |
1 |
875 |
f |
[FE]B:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
|
[5R6]D:302 |
6 |
1 |
865 |
f |
[FE]D:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
35 |
|
[5R6]A:302 |
6 |
1 |
880 |
f |
[FE]A:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
36 |
|
[5R6]C:302 |
6 |
1 |
884 |
f |
[FE]C:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
22.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.009 |
|