## |
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 |
78 |
6 |
1600 |
◊ |
B |
-z+3/4,-y+3/4,-x+3/4 |
24_555 |
78 |
6 |
1600 |
366.9 |
-2.7 |
0.540 |
0 |
0 |
0 |
0.000 |
2 |
2 |
|
[NPM]A:10 |
22 |
1 |
670 |
◊ |
A |
x,y,z |
1_555 |
29 |
4 |
1605 |
197.5 |
-1.9 |
0.841 |
0 |
0 |
0 |
0.000 |
3 |
|
[NPM]B:30 |
21 |
1 |
668 |
◊ |
B |
x,y,z |
1_555 |
30 |
4 |
1600 |
121.8 |
-0.9 |
0.812 |
0 |
0 |
0 |
0.000 |
Average: |
159.7 |
-1.4 |
0.827 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
[NPM]A:10 |
25 |
1 |
670 |
◊ |
[NPM]A:10 |
-z+1/2,-x+1,y-1/2 |
7_564 |
25 |
1 |
670 |
178.7 |
-1.8 |
0.995 |
0 |
0 |
0 |
0.000 |
5 |
|
[NPM]B:30 |
24 |
1 |
668 |
◊ |
[NPM]B:30 |
z,x,y |
5_555 |
25 |
1 |
668 |
93.9 |
-0.9 |
0.995 |
0 |
0 |
0 |
0.000 |
6 |
|
[NPM]A:2 |
25 |
1 |
671 |
◊ |
[NPM]A:1 |
x,y,z |
1_555 |
25 |
1 |
668 |
76.1 |
-0.8 |
0.993 |
0 |
0 |
0 |
0.000 |
7 |
|
[NPM]A:3 |
25 |
1 |
674 |
◊ |
[NPM]A:2 |
x,y,z |
1_555 |
25 |
1 |
671 |
75.5 |
-0.8 |
0.994 |
0 |
0 |
0 |
0.000 |
8 |
|
[NPM]A:3 |
25 |
1 |
674 |
◊ |
[NPM]A:1 |
x,y,z |
1_555 |
25 |
1 |
668 |
74.4 |
-0.8 |
0.994 |
0 |
0 |
0 |
0.000 |
Average: |
99.7 |
-1.0 |
0.994 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
B |
28 |
3 |
1600 |
◊ |
B |
-y+3/4,-x+3/4,-z+3/4 |
14_555 |
28 |
3 |
1600 |
138.9 |
2.8 |
0.819 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
14 |
3 |
1605 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
16 |
4 |
1605 |
131.4 |
-1.1 |
0.497 |
7 |
0 |
0 |
0.000 |
11 |
|
B |
17 |
3 |
1600 |
◊ |
B |
z,x,y |
5_555 |
14 |
3 |
1600 |
96.5 |
-1.2 |
0.478 |
8 |
0 |
0 |
0.000 |
Average: |
113.9 |
-1.1 |
0.487 |
8 |
0 |
0 |
0.000 |
6 |
12 |
|
[NPM]A:3 |
29 |
1 |
674 |
◊ |
[NPM]A:3 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
28 |
1 |
674 |
113.6 |
-2.0 |
0.988 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[NPM]A:2 |
29 |
1 |
671 |
◊ |
[NPM]A:1 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
28 |
1 |
668 |
109.0 |
-2.7 |
0.970 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
[NPM]A:2 |
23 |
1 |
671 |
◊ |
[NPM]A:2 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
23 |
1 |
671 |
97.2 |
-0.7 |
0.993 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[NPM]B:30 |
20 |
1 |
668 |
c |
B |
-z+3/4,-y+3/4,-x+3/4 |
24_555 |
21 |
5 |
1600 |
95.4 |
-3.1 |
0.557 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[NPM]A:10 |
11 |
1 |
670 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
14 |
3 |
1605 |
89.1 |
-1.7 |
0.693 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
15 |
3 |
1600 |
◊ |
[NPM]B:30 |
z,x,y |
5_555 |
11 |
1 |
668 |
57.0 |
-1.6 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
73.0 |
-1.6 |
0.666 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[NPM]B:30 |
17 |
1 |
668 |
◊ |
[NPM]B:30 |
-y+3/4,-x+3/4,-z+3/4 |
14_555 |
17 |
1 |
668 |
83.2 |
-2.3 |
0.918 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[NPM]A:1 |
16 |
1 |
668 |
c |
B |
z-1/4,y+1/4,-x+1/4 |
21_455 |
25 |
3 |
1600 |
80.0 |
-0.6 |
0.748 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[NPM]A:3 |
20 |
1 |
674 |
◊ |
[NPM]A:2 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
23 |
1 |
671 |
75.3 |
-0.7 |
0.991 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[NPM]B:30 |
16 |
1 |
668 |
c |
[NPM]B:30 |
-z+3/4,-y+3/4,-x+3/4 |
24_555 |
16 |
1 |
668 |
73.1 |
-1.8 |
0.935 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[NPM]A:3 |
20 |
1 |
674 |
c |
[NPM]A:1 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
20 |
1 |
668 |
70.1 |
-0.8 |
0.987 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[NPM]A:1 |
11 |
1 |
668 |
◊ |
A |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
16 |
2 |
1605 |
69.0 |
0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[NPM]A:3 |
12 |
1 |
674 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
17 |
2 |
1605 |
62.4 |
-0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[FE2]A:6 |
1 |
1 |
137 |
◊ |
[FE2]A:6 |
-z+1/2,-x+1,y-1/2 |
7_564 |
1 |
1 |
137 |
60.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[NPM]A:10 |
8 |
1 |
670 |
◊ |
[FE2]A:7 |
x,y,z |
1_555 |
1 |
1 |
137 |
60.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[NPM]B:30 |
8 |
1 |
668 |
◊ |
[FE2]B:9 |
x,y,z |
1_555 |
1 |
1 |
137 |
48.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[NPM]A:1 |
6 |
1 |
668 |
◊ |
[FE2]A:5 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[NPM]A:2 |
8 |
1 |
671 |
◊ |
[FE2]A:5 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[NPM]A:3 |
7 |
1 |
674 |
◊ |
[FE2]A:5 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[NPM]A:2 |
8 |
1 |
671 |
◊ |
[FE2]A:4 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
17.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[NPM]A:1 |
9 |
1 |
668 |
◊ |
[FE2]A:4 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
14.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
28.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[NPM]B:30 |
9 |
1 |
668 |
c |
B |
-y+3/4,-x+3/4,-z+3/4 |
14_555 |
20 |
3 |
1600 |
60.2 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
[FE2]B:8 |
1 |
1 |
137 |
◊ |
[FE2]B:8 |
z,x,y |
5_555 |
1 |
1 |
137 |
59.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[NPM]A:2 |
11 |
1 |
671 |
◊ |
A |
x,y,z |
1_555 |
14 |
1 |
1605 |
58.0 |
0.7 |
0.827 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[NPM]A:10 |
8 |
1 |
670 |
◊ |
[FE2]A:6 |
x,y,z |
1_555 |
1 |
1 |
137 |
57.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[NPM]B:30 |
8 |
1 |
668 |
◊ |
[FE2]B:8 |
x,y,z |
1_555 |
1 |
1 |
137 |
49.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[NPM]A:2 |
9 |
1 |
671 |
c |
[FE2]A:5 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
19.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[NPM]A:1 |
8 |
1 |
668 |
◊ |
[FE2]A:4 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[NPM]A:2 |
7 |
1 |
671 |
◊ |
[FE2]A:4 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[NPM]A:3 |
8 |
1 |
674 |
◊ |
[FE2]A:4 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
42 |
|
B |
16 |
2 |
1600 |
◊ |
[NPM]A:2 |
z+1/2,-x+1/2,-y+1 |
6_556 |
13 |
1 |
671 |
56.5 |
-0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
A |
8 |
1 |
1605 |
◊ |
A |
-z+3/4,-y+3/4,-x+3/4 |
24_555 |
7 |
1 |
1605 |
51.3 |
1.2 |
0.721 |
2 |
0 |
0 |
0.000 |
26 |
44 |
|
A |
16 |
2 |
1605 |
◊ |
[NPM]A:3 |
x+1/4,-z+1/4,y-1/4 |
20_554 |
11 |
1 |
674 |
49.3 |
-0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
[FE2]B:9 |
1 |
1 |
137 |
◊ |
[FE2]B:9 |
-y+3/4,-x+3/4,-z+3/4 |
14_555 |
1 |
1 |
137 |
48.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
[NPM]A:1 |
17 |
1 |
668 |
◊ |
[NPM]A:1 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
17 |
1 |
668 |
48.4 |
-1.0 |
0.969 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[NPM]A:3 |
9 |
1 |
674 |
c |
B |
z-1/4,y+1/4,-x+1/4 |
21_455 |
13 |
2 |
1600 |
48.0 |
-0.7 |
0.650 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[NPM]A:1 |
11 |
1 |
668 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
2 |
1600 |
47.3 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[NPM]B:30 |
11 |
1 |
668 |
◊ |
[NPM]B:30 |
-x+3/4,-z+3/4,-y+3/4 |
19_555 |
11 |
1 |
668 |
43.3 |
-0.8 |
0.940 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[NPM]A:3 |
10 |
1 |
674 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
1605 |
42.5 |
-0.4 |
0.716 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
[NPM]A:2 |
11 |
1 |
671 |
◊ |
B |
y-1/4,x+1/4,-z+1/4 |
13_455 |
11 |
1 |
1600 |
38.4 |
0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
A |
5 |
1 |
1605 |
◊ |
[NPM]A:10 |
-z+1/2,-x+1,y-1/2 |
7_564 |
6 |
1 |
670 |
35.2 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
53 |
|
[NPM]B:30 |
6 |
1 |
668 |
◊ |
B |
z,x,y |
5_555 |
5 |
1 |
1600 |
20.4 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
Average: |
27.8 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[NPM]A:1 |
7 |
1 |
668 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
10 |
2 |
1605 |
32.2 |
-0.0 |
0.728 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[NPM]A:2 |
9 |
1 |
671 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
1 |
1600 |
31.7 |
-0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[NPM]A:1 |
8 |
1 |
668 |
◊ |
B |
y-1/4,x+1/4,-z+1/4 |
13_455 |
6 |
1 |
1600 |
29.0 |
-0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[NPM]A:3 |
7 |
1 |
674 |
◊ |
A |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
5 |
1 |
1605 |
28.5 |
-0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
B |
9 |
2 |
1600 |
◊ |
[NPM]A:3 |
z+1/2,-x+1/2,-y+1 |
6_556 |
6 |
1 |
674 |
26.9 |
0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[NPM]A:2 |
7 |
1 |
671 |
◊ |
B |
z-1/4,y+1/4,-x+1/4 |
21_455 |
6 |
2 |
1600 |
25.9 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
A |
5 |
1 |
1605 |
◊ |
[NPM]A:1 |
x+1/4,-z+1/4,y-1/4 |
20_554 |
6 |
1 |
668 |
20.0 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
B |
3 |
1 |
1600 |
◊ |
A |
z+1/2,-x+1/2,-y+1 |
6_556 |
4 |
1 |
1605 |
19.6 |
0.4 |
0.594 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
B |
4 |
3 |
1600 |
◊ |
B |
-x+3/4,-z+3/4,-y+3/4 |
19_555 |
4 |
3 |
1600 |
19.3 |
0.2 |
0.496 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
[FE2]A:5 |
1 |
1 |
137 |
◊ |
B |
z-1/4,y+1/4,-x+1/4 |
21_455 |
9 |
2 |
1600 |
18.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[FE2]A:4 |
1 |
1 |
137 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
5 |
1 |
1605 |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
2 |
1 |
1600 |
◊ |
[FE2]A:4 |
z+1/2,-x+1/2,-y+1 |
6_556 |
1 |
1 |
137 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[NPM]A:3 |
8 |
1 |
674 |
c |
[FE2]A:4 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
18.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[NPM]A:3 |
4 |
1 |
674 |
◊ |
[FE2]A:5 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
15.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
68 |
|
A |
1 |
1 |
1605 |
◊ |
A |
x+1/4,-z+1/4,y-1/4 |
20_554 |
2 |
2 |
1605 |
14.8 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
[FE2]A:7 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
1605 |
14.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[FE2]B:9 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
1600 |
9.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
71 |
|
[NPM]A:1 |
7 |
1 |
668 |
◊ |
[FE2]A:5 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
13.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
72 |
|
[FE2]A:5 |
1 |
1 |
137 |
◊ |
[FE2]A:4 |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
1 |
1 |
137 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
73 |
|
[NPM]A:2 |
6 |
1 |
671 |
◊ |
A |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
5 |
1 |
1605 |
9.9 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
52 |
74 |
|
B |
1 |
1 |
1600 |
◊ |
A |
y-1/4,x+1/4,-z+1/4 |
13_455 |
1 |
1 |
1605 |
7.2 |
-0.3 |
0.164 |
0 |
0 |
0 |
0.000 |
53 |
75 |
|
[FE2]A:4 |
1 |
1 |
137 |
◊ |
A |
-y+3/4,-x+3/4,-z-1/4 |
14_554 |
4 |
1 |
1605 |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
76 |
|
[NPM]B:30 |
2 |
1 |
668 |
◊ |
B |
-x+3/4,-z+3/4,-y+3/4 |
19_555 |
3 |
2 |
1600 |
4.0 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
55 |
77 |
|
A |
2 |
1 |
1605 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
1600 |
2.7 |
-0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
56 |
78 |
|
[FE2]A:4 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1605 |
2.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
79 |
|
B |
1 |
1 |
1600 |
◊ |
[NPM]A:1 |
z+1/2,-x+1/2,-y+1 |
6_556 |
2 |
1 |
668 |
2.3 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
58 |
80 |
|
[NPM]A:2 |
3 |
1 |
671 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
2 |
1 |
1605 |
1.7 |
-0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
59 |
81 |
|
[FE2]A:5 |
1 |
1 |
137 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
1600 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
82 |
|
[FE2]A:5 |
1 |
1 |
137 |
◊ |
B |
y-1/4,x+1/4,-z+1/4 |
13_455 |
1 |
1 |
1600 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|