## |
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 |
|
E |
103 |
29 |
8632 |
◊ |
A |
x,y,z |
1_555 |
101 |
29 |
8521 |
1047.3 |
-9.9 |
0.483 |
7 |
0 |
0 |
0.333 |
2 |
|
G |
100 |
29 |
8354 |
◊ |
D |
z,x,y |
5_555 |
100 |
29 |
8511 |
1014.8 |
-9.1 |
0.519 |
7 |
0 |
0 |
0.333 |
3 |
|
F |
96 |
29 |
8461 |
◊ |
B |
x,y,z |
1_555 |
101 |
29 |
8559 |
1013.0 |
-10.2 |
0.410 |
6 |
0 |
0 |
0.333 |
4 |
|
H |
102 |
30 |
8445 |
◊ |
C |
x,y,z |
1_555 |
97 |
30 |
8307 |
1001.0 |
-10.2 |
0.446 |
6 |
0 |
0 |
0.333 |
Average: |
1019.0 |
-9.8 |
0.465 |
7 |
0 |
0 |
0.333 |
2 |
5 |
|
G |
48 |
12 |
8354 |
◊ |
D |
x,y,z |
1_555 |
47 |
14 |
8511 |
464.5 |
-4.4 |
0.492 |
5 |
4 |
0 |
0.190 |
6 |
|
B |
47 |
13 |
8559 |
◊ |
F |
z,x,y |
5_555 |
45 |
13 |
8461 |
452.3 |
-3.8 |
0.523 |
5 |
3 |
0 |
0.190 |
7 |
|
F |
48 |
13 |
8461 |
◊ |
E |
x,y,z |
1_555 |
41 |
12 |
8632 |
447.2 |
-3.7 |
0.467 |
5 |
3 |
0 |
0.190 |
8 |
|
D |
50 |
14 |
8511 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
8521 |
443.0 |
-3.3 |
0.572 |
5 |
4 |
0 |
0.190 |
9 |
|
H |
45 |
14 |
8445 |
◊ |
A |
x,y,z |
1_555 |
47 |
11 |
8521 |
442.7 |
-4.2 |
0.515 |
5 |
4 |
0 |
0.190 |
10 |
|
H |
48 |
13 |
8445 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
8354 |
441.3 |
-4.7 |
0.490 |
5 |
4 |
0 |
0.190 |
11 |
|
C |
47 |
13 |
8307 |
◊ |
B |
x,y,z |
1_555 |
42 |
13 |
8559 |
434.2 |
-3.5 |
0.508 |
5 |
4 |
0 |
0.190 |
12 |
|
C |
42 |
13 |
8307 |
◊ |
E |
z,x,y |
5_555 |
43 |
12 |
8632 |
407.5 |
-2.5 |
0.624 |
5 |
3 |
0 |
0.190 |
Average: |
441.6 |
-3.8 |
0.524 |
5 |
4 |
0 |
0.190 |
3 |
13 |
|
C |
48 |
12 |
8307 |
x |
A |
x,y,z |
1_555 |
48 |
12 |
8521 |
438.5 |
-7.6 |
0.217 |
2 |
2 |
0 |
0.389 |
14 |
|
F |
48 |
12 |
8461 |
x |
C |
x,y,z |
1_555 |
48 |
12 |
8307 |
438.4 |
-7.1 |
0.239 |
1 |
2 |
0 |
0.389 |
15 |
|
F |
50 |
12 |
8461 |
x |
A |
x,y,z |
1_555 |
49 |
13 |
8521 |
438.3 |
-7.3 |
0.253 |
2 |
2 |
0 |
0.389 |
16 |
|
G |
48 |
14 |
8354 |
x |
G |
z,x,y |
5_555 |
49 |
12 |
8354 |
437.9 |
-7.8 |
0.226 |
0 |
1 |
0 |
0.389 |
17 |
|
H |
47 |
13 |
8445 |
x |
E |
z,x,y |
5_555 |
48 |
11 |
8632 |
436.7 |
-7.5 |
0.238 |
2 |
2 |
0 |
0.389 |
18 |
|
E |
48 |
11 |
8632 |
x |
D |
x,y,z |
1_555 |
49 |
12 |
8511 |
436.7 |
-7.1 |
0.252 |
2 |
2 |
0 |
0.389 |
19 |
|
B |
46 |
12 |
8559 |
x |
B |
z,x,y |
5_555 |
47 |
13 |
8559 |
435.5 |
-7.6 |
0.208 |
1 |
1 |
0 |
0.389 |
20 |
|
H |
51 |
12 |
8445 |
x |
D |
z,x,y |
5_555 |
48 |
12 |
8511 |
434.5 |
-7.1 |
0.271 |
1 |
2 |
0 |
0.389 |
Average: |
437.1 |
-7.4 |
0.238 |
1 |
2 |
0 |
0.389 |
4 |
21 |
|
F |
25 |
10 |
8461 |
◊ |
F |
-x-1,y,-z-1 |
3_454 |
25 |
10 |
8461 |
264.4 |
2.5 |
0.919 |
2 |
0 |
0 |
0.000 |
22 |
|
H |
28 |
10 |
8445 |
◊ |
H |
-x-1,-y,z |
2_455 |
28 |
10 |
8445 |
245.5 |
1.0 |
0.883 |
0 |
0 |
0 |
0.000 |
23 |
|
E |
14 |
5 |
8632 |
◊ |
E |
x,-y,-z-1 |
4_554 |
14 |
5 |
8632 |
125.5 |
2.0 |
0.919 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
13 |
7 |
8354 |
◊ |
G |
x,-y,-z |
4_555 |
13 |
7 |
8354 |
97.9 |
0.3 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
183.3 |
1.5 |
0.876 |
1 |
0 |
0 |
0.000 |
5 |
25 |
|
F |
19 |
7 |
8461 |
◊ |
B |
-x-1,y,-z-1 |
3_454 |
18 |
6 |
8559 |
202.5 |
-4.1 |
0.171 |
1 |
0 |
0 |
0.000 |
6 |
26 |
|
B |
20 |
8 |
8559 |
◊ |
B |
-x-1,y,-z-1 |
3_454 |
20 |
8 |
8559 |
187.1 |
0.1 |
0.771 |
0 |
2 |
0 |
0.000 |
27 |
|
D |
14 |
7 |
8511 |
◊ |
D |
-x,-y,z |
2_555 |
14 |
7 |
8511 |
119.0 |
0.3 |
0.770 |
2 |
2 |
0 |
0.000 |
28 |
|
C |
11 |
6 |
8307 |
◊ |
C |
-x-1,-y,z |
2_455 |
11 |
6 |
8307 |
46.6 |
-1.1 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
117.6 |
-0.2 |
0.678 |
1 |
1 |
0 |
0.000 |
7 |
29 |
|
E |
19 |
7 |
8632 |
◊ |
A |
x,-y,-z-1 |
4_554 |
14 |
5 |
8521 |
181.0 |
-3.5 |
0.204 |
0 |
0 |
0 |
0.000 |
8 |
30 |
|
G |
14 |
5 |
8354 |
◊ |
D |
z,-x,-y |
6_555 |
19 |
6 |
8511 |
169.2 |
-3.3 |
0.228 |
0 |
0 |
0 |
0.000 |
9 |
31 |
|
A |
20 |
9 |
8521 |
◊ |
A |
x,-y,-z-1 |
4_554 |
20 |
9 |
8521 |
167.7 |
0.7 |
0.836 |
0 |
0 |
0 |
0.000 |
10 |
32 |
|
H |
15 |
6 |
8445 |
◊ |
C |
-x-1,-y,z |
2_455 |
14 |
5 |
8307 |
157.5 |
-3.1 |
0.220 |
0 |
0 |
0 |
0.000 |
11 |
33 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
8511 |
81.8 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.671 |
34 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
8445 |
81.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.671 |
35 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8307 |
81.0 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.671 |
36 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8521 |
81.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.671 |
37 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
8632 |
80.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.671 |
38 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8559 |
80.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.671 |
39 |
|
[FE]G:201 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
8354 |
79.3 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.671 |
40 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
8461 |
78.9 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.671 |
Average: |
80.6 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.671 |
12 |
41 |
|
B |
2 |
2 |
8559 |
◊ |
E |
z,x,y |
5_555 |
2 |
2 |
8632 |
14.4 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.007 |
42 |
|
C |
2 |
2 |
8307 |
◊ |
F |
z,x,y |
5_555 |
2 |
2 |
8461 |
14.3 |
-0.5 |
0.303 |
0 |
0 |
0 |
0.007 |
43 |
|
H |
2 |
2 |
8445 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8511 |
14.3 |
-0.5 |
0.305 |
0 |
0 |
0 |
0.007 |
44 |
|
G |
2 |
2 |
8354 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8521 |
13.1 |
-0.4 |
0.323 |
0 |
0 |
0 |
0.007 |
Average: |
14.0 |
-0.4 |
0.310 |
0 |
0 |
0 |
0.007 |
|