## |
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 |
113 |
28 |
12568 |
◊ |
A |
x-1,y,z |
1_455 |
108 |
27 |
13191 |
1004.8 |
-4.1 |
0.436 |
7 |
3 |
0 |
0.000 |
2 |
2 |
|
C |
86 |
26 |
12896 |
◊ |
D |
x-1,y,z |
1_455 |
72 |
21 |
12723 |
740.0 |
-3.2 |
0.442 |
7 |
3 |
0 |
0.000 |
3 |
3 |
|
C |
74 |
24 |
12896 |
◊ |
A |
x,y,z |
1_555 |
71 |
23 |
13191 |
720.9 |
-0.5 |
0.523 |
13 |
0 |
0 |
0.000 |
4 |
|
C |
57 |
17 |
12896 |
◊ |
A |
x-1,y,z |
1_455 |
64 |
19 |
13191 |
590.9 |
-2.0 |
0.461 |
9 |
0 |
0 |
0.000 |
5 |
|
B |
57 |
16 |
12568 |
◊ |
D |
x-1,y,z |
1_455 |
63 |
17 |
12723 |
575.5 |
-1.5 |
0.465 |
9 |
0 |
0 |
0.000 |
6 |
|
D |
55 |
16 |
12723 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
12568 |
528.1 |
-1.1 |
0.537 |
9 |
0 |
0 |
0.000 |
Average: |
603.8 |
-1.3 |
0.496 |
10 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
73 |
24 |
12723 |
◊ |
C |
x,y,z-1 |
1_554 |
66 |
17 |
12896 |
624.4 |
-1.0 |
0.554 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
C |
51 |
12 |
12896 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
49 |
12 |
13191 |
445.2 |
1.0 |
0.659 |
5 |
5 |
0 |
0.000 |
6 |
9 |
|
D |
42 |
10 |
12723 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
43 |
10 |
12568 |
400.2 |
1.3 |
0.731 |
3 |
6 |
0 |
0.000 |
7 |
10 |
|
B |
46 |
16 |
12568 |
◊ |
A |
x,y,z-1 |
1_554 |
39 |
14 |
13191 |
348.2 |
-0.4 |
0.588 |
1 |
3 |
0 |
0.000 |
8 |
11 |
|
A |
32 |
11 |
13191 |
x |
A |
x-1,y,z |
1_455 |
36 |
11 |
13191 |
294.7 |
1.1 |
0.509 |
5 |
0 |
0 |
0.000 |
12 |
|
C |
20 |
8 |
12896 |
x |
C |
x-1,y,z |
1_455 |
23 |
7 |
12896 |
183.1 |
0.5 |
0.602 |
3 |
0 |
0 |
0.000 |
13 |
|
D |
19 |
7 |
12723 |
x |
D |
x-1,y,z |
1_455 |
22 |
7 |
12723 |
169.9 |
2.3 |
0.768 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
11 |
6 |
12568 |
x |
B |
x-1,y,z |
1_455 |
17 |
6 |
12568 |
111.7 |
0.8 |
0.715 |
1 |
0 |
0 |
0.000 |
Average: |
189.8 |
1.2 |
0.649 |
3 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
26 |
7 |
12723 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
8 |
13191 |
236.7 |
0.4 |
0.632 |
3 |
3 |
0 |
0.000 |
10 |
16 |
|
[PEG]A:415 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
13191 |
160.8 |
2.8 |
0.324 |
4 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
17 |
6 |
12568 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
13191 |
141.7 |
1.2 |
0.708 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]A:413 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
13191 |
122.6 |
3.5 |
0.618 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
12568 |
108.9 |
3.4 |
0.489 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]D:404 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
12723 |
107.4 |
3.0 |
0.467 |
3 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]B:406 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
12568 |
105.1 |
3.8 |
0.605 |
4 |
0 |
0 |
0.000 |
16 |
22 |
|
[PEG]A:414 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13191 |
100.9 |
2.0 |
0.301 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]D:405 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12723 |
89.6 |
3.1 |
0.301 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
[MN]A:407 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
13191 |
88.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.049 |
25 |
|
[MN]C:403 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
12896 |
76.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.049 |
26 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12568 |
75.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
79.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.049 |
19 |
27 |
|
[EDO]B:407 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
12568 |
75.5 |
1.4 |
0.211 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[MN]D:402 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12723 |
73.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.046 |
21 |
29 |
|
[MN]A:405 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13191 |
71.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.010 |
22 |
30 |
|
[MN]A:406 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13191 |
71.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.009 |
23 |
31 |
|
[MN]C:408 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
12896 |
70.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.018 |
24 |
32 |
|
[MN]B:403 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12568 |
69.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.039 |
25 |
33 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13191 |
68.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.015 |
34 |
|
[MN]C:405 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
12896 |
67.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
68.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.015 |
26 |
35 |
|
[MN]A:410 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13191 |
66.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.010 |
27 |
36 |
|
[MN]A:408 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13191 |
66.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.009 |
28 |
37 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13191 |
66.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
38 |
|
[MN]A:404 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13191 |
66.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.050 |
39 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12896 |
65.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.050 |
40 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12568 |
63.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
64.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
41 |
|
[MN]C:409 |
1 |
1 |
123 |
f |
D |
x-1,y,z |
1_455 |
14 |
6 |
12723 |
65.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
31 |
42 |
|
[MN]A:412 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13191 |
57.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
43 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13191 |
53.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.006 |
33 |
44 |
|
[MN]C:406 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
12896 |
53.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
45 |
|
[MN]D:403 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12723 |
51.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.030 |
35 |
46 |
|
[MN]C:406 |
1 |
1 |
123 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
3 |
12723 |
49.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[MN]A:411 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13191 |
48.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.006 |
37 |
48 |
|
[MN]A:411 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
12896 |
48.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
C |
5 |
2 |
12896 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
5 |
1 |
12568 |
47.8 |
0.7 |
0.772 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
[MN]A:409 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13191 |
46.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
40 |
51 |
|
[MN]C:407 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
12896 |
44.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
52 |
|
[MN]C:404 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12896 |
43.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[EDO]B:408 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12568 |
43.2 |
0.6 |
0.631 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[MN]C:407 |
1 |
1 |
123 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
12723 |
37.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[MN]C:409 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
12896 |
35.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[MN]A:412 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12896 |
35.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
D |
3 |
2 |
12723 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12896 |
32.9 |
0.6 |
0.774 |
1 |
0 |
0 |
0.000 |
47 |
58 |
|
C |
6 |
3 |
12896 |
◊ |
[MN]A:408 |
x-1,y,z |
1_455 |
1 |
1 |
123 |
32.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
C |
3 |
2 |
12896 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12568 |
29.2 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[EDO]B:407 |
1 |
1 |
185 |
f |
A |
x,y,z-1 |
1_554 |
3 |
1 |
13191 |
28.1 |
0.3 |
0.747 |
1 |
0 |
0 |
0.000 |
50 |
61 |
|
C |
3 |
1 |
12896 |
◊ |
[PEG]A:414 |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
258 |
25.6 |
0.6 |
0.434 |
1 |
0 |
0 |
0.000 |
51 |
62 |
|
[PEG]A:414 |
2 |
1 |
258 |
f |
[MN]A:409 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
52 |
63 |
|
C |
6 |
3 |
12896 |
f |
[PEG]A:415 |
x-1,y,z |
1_455 |
2 |
1 |
259 |
23.2 |
0.6 |
0.442 |
1 |
0 |
0 |
0.000 |
53 |
64 |
|
[MN]A:410 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12896 |
19.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
B |
4 |
1 |
12568 |
◊ |
[MN]A:405 |
x,y,z-1 |
1_554 |
1 |
1 |
123 |
14.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
D |
2 |
1 |
12723 |
◊ |
[MN]B:403 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
123 |
14.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[MN]C:404 |
1 |
1 |
123 |
f |
[MN]A:412 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
68 |
|
D |
3 |
2 |
12723 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
1 |
1 |
12568 |
10.7 |
0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
C |
1 |
1 |
12896 |
◊ |
[MN]D:402 |
x-1,y,z |
1_455 |
1 |
1 |
123 |
8.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
D |
1 |
1 |
12723 |
◊ |
[MN]A:411 |
x,y,z-1 |
1_554 |
1 |
1 |
123 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
71 |
|
[MN]B:402 |
1 |
1 |
123 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
13191 |
7.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
72 |
|
[EDO]B:405 |
3 |
1 |
186 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
73 |
|
[EDO]D:404 |
2 |
1 |
185 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
74 |
|
[MN]A:410 |
1 |
1 |
123 |
f |
[MN]A:408 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
75 |
|
C |
1 |
1 |
12896 |
f |
[EDO]D:405 |
x-1,y,z+1 |
1_456 |
1 |
1 |
187 |
4.7 |
0.2 |
0.885 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[EDO]A:413 |
1 |
1 |
187 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
77 |
|
C |
1 |
1 |
12896 |
f |
[EDO]B:408 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
185 |
3.2 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
C |
1 |
1 |
12896 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
12723 |
1.4 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
|