## |
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 |
|
F |
105 |
29 |
8437 |
◊ |
B |
x,y,z |
1_555 |
102 |
29 |
8596 |
1027.7 |
-10.1 |
0.430 |
6 |
0 |
0 |
0.000 |
2 |
|
E |
101 |
29 |
8610 |
◊ |
A |
x,y,z |
1_555 |
105 |
30 |
8458 |
1012.1 |
-9.4 |
0.455 |
7 |
0 |
0 |
0.000 |
3 |
|
D |
103 |
29 |
8310 |
◊ |
G |
z,x,y |
5_555 |
94 |
28 |
8434 |
1009.0 |
-11.1 |
0.309 |
7 |
0 |
0 |
0.000 |
4 |
|
H |
99 |
28 |
8293 |
◊ |
C |
x,y,z |
1_555 |
102 |
30 |
8451 |
996.0 |
-8.6 |
0.491 |
9 |
0 |
0 |
0.000 |
Average: |
1011.2 |
-9.8 |
0.421 |
7 |
0 |
0 |
0.000 |
2 |
5 |
|
C |
51 |
13 |
8451 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
8596 |
478.2 |
-5.0 |
0.378 |
5 |
3 |
0 |
0.000 |
6 |
|
F |
48 |
14 |
8437 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
8610 |
470.4 |
-3.9 |
0.460 |
5 |
3 |
0 |
0.000 |
7 |
|
F |
45 |
13 |
8437 |
◊ |
B |
z,x,y |
5_555 |
47 |
13 |
8596 |
468.7 |
-4.8 |
0.419 |
5 |
4 |
0 |
0.000 |
8 |
|
H |
45 |
14 |
8293 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
8458 |
465.3 |
-3.8 |
0.458 |
5 |
4 |
0 |
0.000 |
9 |
|
D |
48 |
13 |
8310 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
8458 |
462.2 |
-4.0 |
0.476 |
5 |
3 |
0 |
0.000 |
10 |
|
G |
49 |
14 |
8434 |
◊ |
D |
x,y,z |
1_555 |
49 |
13 |
8310 |
460.7 |
-4.4 |
0.472 |
5 |
3 |
0 |
0.000 |
11 |
|
H |
48 |
14 |
8293 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
8434 |
452.6 |
-4.7 |
0.416 |
6 |
3 |
0 |
0.000 |
12 |
|
E |
48 |
12 |
8610 |
◊ |
C |
z,x,y |
5_555 |
43 |
14 |
8451 |
451.1 |
-4.0 |
0.463 |
5 |
3 |
0 |
0.000 |
Average: |
463.6 |
-4.3 |
0.443 |
5 |
3 |
0 |
0.000 |
3 |
13 |
|
E |
49 |
12 |
8610 |
x |
D |
x,y,z |
1_555 |
51 |
12 |
8310 |
438.8 |
-7.3 |
0.224 |
2 |
2 |
0 |
0.000 |
14 |
|
F |
50 |
12 |
8437 |
x |
A |
x,y,z |
1_555 |
49 |
12 |
8458 |
438.7 |
-8.4 |
0.167 |
1 |
2 |
0 |
0.000 |
15 |
|
G |
51 |
12 |
8434 |
x |
G |
z,x,y |
5_555 |
49 |
12 |
8434 |
438.5 |
-7.9 |
0.195 |
1 |
0 |
0 |
0.000 |
16 |
|
F |
49 |
12 |
8437 |
x |
C |
x,y,z |
1_555 |
53 |
12 |
8451 |
437.8 |
-8.0 |
0.194 |
1 |
2 |
0 |
0.000 |
17 |
|
E |
49 |
12 |
8610 |
x |
H |
z,x,y |
5_555 |
45 |
12 |
8293 |
436.9 |
-8.2 |
0.156 |
1 |
1 |
0 |
0.000 |
18 |
|
B |
46 |
12 |
8596 |
x |
B |
z,x,y |
5_555 |
47 |
12 |
8596 |
435.8 |
-7.2 |
0.219 |
1 |
2 |
0 |
0.000 |
19 |
|
C |
48 |
12 |
8451 |
x |
A |
x,y,z |
1_555 |
50 |
12 |
8458 |
435.7 |
-7.4 |
0.214 |
1 |
1 |
0 |
0.000 |
20 |
|
D |
49 |
12 |
8310 |
x |
H |
z,x,y |
5_555 |
48 |
12 |
8293 |
433.8 |
-7.0 |
0.232 |
2 |
3 |
0 |
0.000 |
Average: |
437.0 |
-7.7 |
0.200 |
1 |
2 |
0 |
0.000 |
4 |
21 |
|
H |
29 |
9 |
8293 |
◊ |
H |
-x+1,y,-z |
3_655 |
29 |
9 |
8293 |
241.2 |
0.9 |
0.855 |
0 |
4 |
0 |
0.000 |
22 |
|
F |
18 |
7 |
8437 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
18 |
7 |
8437 |
177.2 |
-1.0 |
0.604 |
4 |
8 |
0 |
0.000 |
23 |
|
G |
15 |
6 |
8434 |
◊ |
G |
x,-y,-z |
4_555 |
15 |
6 |
8434 |
143.5 |
1.9 |
0.911 |
4 |
10 |
0 |
0.000 |
24 |
|
E |
10 |
4 |
8610 |
◊ |
E |
x,-y+1,-z |
4_565 |
10 |
4 |
8610 |
134.2 |
3.6 |
0.976 |
6 |
6 |
0 |
0.000 |
Average: |
174.0 |
1.3 |
0.836 |
4 |
7 |
0 |
0.000 |
5 |
25 |
|
F |
20 |
8 |
8437 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
18 |
6 |
8596 |
199.8 |
-3.8 |
0.206 |
1 |
0 |
0 |
0.000 |
6 |
26 |
|
E |
20 |
7 |
8610 |
◊ |
A |
x,-y+1,-z |
4_565 |
14 |
5 |
8458 |
183.3 |
-3.2 |
0.237 |
0 |
0 |
0 |
0.000 |
7 |
27 |
|
B |
19 |
8 |
8596 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
20 |
8 |
8596 |
170.4 |
-0.8 |
0.652 |
0 |
2 |
0 |
0.000 |
28 |
|
A |
18 |
10 |
8458 |
◊ |
A |
x,-y+1,-z |
4_565 |
18 |
10 |
8458 |
118.3 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
8 |
5 |
8451 |
◊ |
C |
-x+1,y,-z |
3_655 |
8 |
5 |
8451 |
47.8 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
112.2 |
-0.0 |
0.721 |
0 |
1 |
0 |
0.000 |
8 |
30 |
|
D |
16 |
4 |
8310 |
◊ |
G |
-z,x,-y |
8_555 |
14 |
6 |
8434 |
157.8 |
-2.8 |
0.255 |
0 |
0 |
0 |
0.000 |
9 |
31 |
|
H |
19 |
6 |
8293 |
◊ |
C |
-x+1,y,-z |
3_655 |
12 |
4 |
8451 |
150.4 |
-2.9 |
0.245 |
0 |
0 |
0 |
0.000 |
10 |
32 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
8310 |
71.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.041 |
33 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
8458 |
69.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.041 |
34 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
8451 |
68.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.041 |
35 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
8610 |
67.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.041 |
36 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
8437 |
66.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.041 |
37 |
|
[FE]G:201 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
14 |
9 |
8434 |
66.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.041 |
38 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
8596 |
66.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.041 |
39 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
8293 |
64.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
67.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.041 |
11 |
40 |
|
[FE]G:202 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
8434 |
63.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.042 |
41 |
|
[FE]D:202 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
10 |
7 |
8310 |
62.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.042 |
42 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8458 |
61.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.042 |
43 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
8610 |
61.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.042 |
44 |
|
[FE]H:202 |
1 |
1 |
137 |
cf |
H |
x,y,z |
1_555 |
16 |
8 |
8293 |
61.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.042 |
45 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8451 |
60.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.042 |
46 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
8437 |
60.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.042 |
47 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
8596 |
60.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
61.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.042 |
12 |
48 |
|
D |
7 |
5 |
8310 |
◊ |
D |
-x,y,-z |
3_555 |
7 |
5 |
8310 |
56.6 |
-0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
13 |
49 |
|
[FE]H:202 |
1 |
1 |
137 |
f |
[FE]H:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.023 |
14 |
50 |
|
[FE]G:202 |
1 |
1 |
137 |
f |
[FE]G:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.022 |
15 |
51 |
|
[FE]E:202 |
1 |
1 |
137 |
f |
[FE]E:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.021 |
16 |
52 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
53 |
|
[FE]B:202 |
1 |
1 |
137 |
f |
[FE]B:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.020 |
18 |
54 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.020 |
19 |
55 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.019 |
20 |
56 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
[FE]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
57 |
|
F |
2 |
2 |
8437 |
◊ |
C |
z,x,y |
5_555 |
2 |
2 |
8451 |
13.8 |
-0.4 |
0.304 |
0 |
0 |
0 |
0.000 |
58 |
|
G |
2 |
2 |
8434 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8458 |
13.3 |
-0.4 |
0.309 |
0 |
0 |
0 |
0.000 |
59 |
|
H |
2 |
2 |
8293 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8310 |
13.1 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
60 |
|
E |
2 |
2 |
8610 |
◊ |
B |
z,x,y |
5_555 |
2 |
2 |
8596 |
12.7 |
-0.4 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
-0.4 |
0.313 |
0 |
0 |
0 |
0.000 |
|