## |
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 |
|
D |
104 |
30 |
8393 |
◊ |
G |
z,x,y |
5_555 |
101 |
28 |
8401 |
1032.0 |
-11.5 |
0.307 |
7 |
0 |
0 |
0.350 |
2 |
|
H |
101 |
29 |
8411 |
◊ |
C |
x,y,z |
1_555 |
101 |
30 |
8464 |
1018.4 |
-9.7 |
0.416 |
9 |
0 |
0 |
0.350 |
3 |
|
E |
109 |
31 |
8521 |
◊ |
A |
x,y,z |
1_555 |
101 |
30 |
8430 |
996.9 |
-8.4 |
0.554 |
6 |
0 |
0 |
0.350 |
4 |
|
F |
98 |
29 |
8414 |
◊ |
B |
x,y,z |
1_555 |
96 |
29 |
8536 |
976.5 |
-9.3 |
0.430 |
9 |
0 |
0 |
0.350 |
Average: |
1006.0 |
-9.7 |
0.427 |
8 |
0 |
0 |
0.350 |
2 |
5 |
|
F |
53 |
14 |
8414 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
8521 |
483.9 |
-4.4 |
0.421 |
5 |
3 |
0 |
0.199 |
6 |
|
C |
53 |
13 |
8464 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
8536 |
475.0 |
-4.6 |
0.413 |
5 |
3 |
0 |
0.199 |
7 |
|
H |
46 |
14 |
8411 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
8430 |
469.4 |
-4.0 |
0.458 |
5 |
4 |
0 |
0.199 |
8 |
|
D |
47 |
13 |
8393 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
8430 |
467.0 |
-4.0 |
0.466 |
5 |
4 |
0 |
0.199 |
9 |
|
F |
44 |
13 |
8414 |
◊ |
B |
z,x,y |
5_555 |
48 |
13 |
8536 |
465.1 |
-4.5 |
0.416 |
5 |
3 |
0 |
0.199 |
10 |
|
G |
47 |
14 |
8401 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
8393 |
457.5 |
-4.6 |
0.440 |
5 |
4 |
0 |
0.199 |
11 |
|
E |
51 |
12 |
8521 |
◊ |
C |
z,x,y |
5_555 |
42 |
12 |
8464 |
457.5 |
-4.0 |
0.474 |
5 |
3 |
0 |
0.199 |
12 |
|
H |
47 |
14 |
8411 |
◊ |
G |
x,y,z |
1_555 |
47 |
13 |
8401 |
450.6 |
-4.5 |
0.431 |
5 |
4 |
0 |
0.199 |
Average: |
465.7 |
-4.3 |
0.440 |
5 |
4 |
0 |
0.199 |
3 |
13 |
|
F |
48 |
12 |
8414 |
x |
C |
x,y,z |
1_555 |
50 |
12 |
8464 |
440.8 |
-7.2 |
0.213 |
1 |
1 |
0 |
0.401 |
14 |
|
E |
47 |
12 |
8521 |
x |
D |
x,y,z |
1_555 |
52 |
12 |
8393 |
440.1 |
-7.2 |
0.243 |
2 |
2 |
0 |
0.401 |
15 |
|
F |
48 |
12 |
8414 |
x |
A |
x,y,z |
1_555 |
49 |
12 |
8430 |
437.8 |
-7.9 |
0.181 |
1 |
2 |
0 |
0.401 |
16 |
|
G |
49 |
12 |
8401 |
x |
G |
z,x,y |
5_555 |
45 |
12 |
8401 |
437.4 |
-7.9 |
0.155 |
2 |
2 |
0 |
0.401 |
17 |
|
B |
46 |
12 |
8536 |
x |
B |
z,x,y |
5_555 |
47 |
11 |
8536 |
436.3 |
-7.0 |
0.233 |
1 |
2 |
0 |
0.401 |
18 |
|
C |
49 |
12 |
8464 |
x |
A |
x,y,z |
1_555 |
50 |
12 |
8430 |
435.0 |
-7.4 |
0.216 |
1 |
1 |
0 |
0.401 |
19 |
|
E |
48 |
11 |
8521 |
x |
H |
z,x,y |
5_555 |
45 |
12 |
8411 |
433.6 |
-7.6 |
0.187 |
2 |
2 |
0 |
0.401 |
20 |
|
D |
45 |
11 |
8393 |
x |
H |
z,x,y |
5_555 |
50 |
12 |
8411 |
432.0 |
-8.1 |
0.157 |
1 |
1 |
0 |
0.401 |
Average: |
436.6 |
-7.5 |
0.198 |
1 |
2 |
0 |
0.401 |
4 |
21 |
|
H |
30 |
11 |
8411 |
◊ |
H |
x,-y,-z+1 |
4_556 |
30 |
11 |
8411 |
282.8 |
1.1 |
0.864 |
0 |
0 |
0 |
0.000 |
22 |
|
F |
18 |
8 |
8414 |
◊ |
F |
-x+1,y,-z+1 |
3_656 |
18 |
8 |
8414 |
178.7 |
1.1 |
0.850 |
2 |
6 |
0 |
0.000 |
23 |
|
G |
16 |
7 |
8401 |
◊ |
G |
-x,-y,z |
2_555 |
16 |
7 |
8401 |
147.3 |
3.2 |
0.959 |
4 |
8 |
0 |
0.000 |
24 |
|
E |
10 |
4 |
8521 |
◊ |
E |
-x+1,-y,z |
2_655 |
10 |
4 |
8521 |
124.4 |
3.6 |
0.978 |
4 |
6 |
0 |
0.000 |
Average: |
183.3 |
2.3 |
0.913 |
3 |
5 |
0 |
0.000 |
5 |
25 |
|
F |
20 |
8 |
8414 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
18 |
6 |
8536 |
197.5 |
-3.8 |
0.201 |
1 |
0 |
0 |
0.000 |
6 |
26 |
|
H |
19 |
6 |
8411 |
◊ |
C |
x,-y,-z+1 |
4_556 |
15 |
6 |
8464 |
173.5 |
-2.5 |
0.329 |
0 |
0 |
0 |
0.000 |
7 |
27 |
|
E |
19 |
7 |
8521 |
◊ |
A |
-x+1,-y,z |
2_655 |
12 |
4 |
8430 |
170.8 |
-3.3 |
0.201 |
0 |
0 |
0 |
0.000 |
8 |
28 |
|
D |
18 |
5 |
8393 |
◊ |
G |
z,-x,-y |
6_555 |
15 |
6 |
8401 |
155.4 |
-3.0 |
0.243 |
0 |
0 |
0 |
0.000 |
9 |
29 |
|
B |
18 |
8 |
8536 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
18 |
8 |
8536 |
152.9 |
-1.0 |
0.607 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
15 |
9 |
8430 |
◊ |
A |
-x+1,-y,z |
2_655 |
15 |
9 |
8430 |
97.3 |
-0.7 |
0.612 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
8 |
5 |
8393 |
◊ |
D |
x,-y,-z |
4_555 |
8 |
5 |
8393 |
40.0 |
-1.0 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
96.7 |
-0.9 |
0.555 |
0 |
0 |
0 |
0.000 |
10 |
32 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
17 |
10 |
8411 |
84.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.668 |
33 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
8393 |
84.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.668 |
34 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
8414 |
83.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.668 |
35 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
8521 |
83.2 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.668 |
36 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
8536 |
82.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.668 |
37 |
|
[FE]A:201 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
18 |
11 |
8430 |
82.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.668 |
38 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
8464 |
81.2 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.668 |
39 |
|
[FE]G:201 |
1 |
1 |
137 |
cf |
G |
x,y,z |
1_555 |
18 |
10 |
8401 |
80.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.668 |
Average: |
82.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.668 |
11 |
40 |
|
C |
6 |
4 |
8464 |
◊ |
C |
x,-y,-z+1 |
4_556 |
6 |
4 |
8464 |
34.0 |
-0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
12 |
41 |
|
F |
2 |
2 |
8414 |
◊ |
C |
z,x,y |
5_555 |
2 |
2 |
8464 |
14.5 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.006 |
42 |
|
H |
2 |
2 |
8411 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8393 |
13.3 |
-0.4 |
0.313 |
0 |
0 |
0 |
0.006 |
43 |
|
G |
2 |
2 |
8401 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8430 |
13.0 |
-0.4 |
0.315 |
0 |
0 |
0 |
0.006 |
44 |
|
E |
2 |
2 |
8521 |
◊ |
B |
z,x,y |
5_555 |
2 |
2 |
8536 |
12.1 |
-0.4 |
0.340 |
0 |
0 |
0 |
0.006 |
Average: |
13.2 |
-0.4 |
0.315 |
0 |
0 |
0 |
0.006 |
|