## |
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 |
95 |
18 |
3375 |
◊ |
C |
x,y,z |
1_555 |
96 |
18 |
3417 |
825.1 |
-16.9 |
0.166 |
0 |
3 |
0 |
0.865 |
2 |
|
B |
96 |
19 |
3438 |
◊ |
A |
x,y,z |
1_555 |
97 |
19 |
3466 |
803.9 |
-16.5 |
0.135 |
0 |
3 |
0 |
0.865 |
Average: |
814.5 |
-16.7 |
0.150 |
0 |
3 |
0 |
0.865 |
2 |
3 |
|
B |
49 |
18 |
3438 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
48 |
18 |
3466 |
547.8 |
-11.0 |
0.074 |
0 |
2 |
0 |
0.864 |
4 |
|
D |
47 |
17 |
3375 |
◊ |
C |
y,x,-z |
7_555 |
51 |
18 |
3417 |
539.5 |
-11.2 |
0.106 |
0 |
3 |
0 |
0.864 |
Average: |
543.7 |
-11.1 |
0.090 |
0 |
3 |
0 |
0.864 |
3 |
5 |
|
D |
25 |
6 |
3375 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
3438 |
259.4 |
1.7 |
0.828 |
3 |
4 |
0 |
0.000 |
4 |
6 |
|
B |
16 |
8 |
3438 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
16 |
8 |
3438 |
115.8 |
-4.0 |
0.155 |
0 |
0 |
0 |
0.113 |
7 |
|
A |
13 |
8 |
3466 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
13 |
8 |
3466 |
107.0 |
-4.1 |
0.083 |
0 |
0 |
0 |
0.113 |
8 |
|
D |
13 |
8 |
3375 |
◊ |
D |
y,x,-z |
7_555 |
13 |
8 |
3375 |
106.3 |
-3.9 |
0.135 |
0 |
0 |
0 |
0.113 |
9 |
|
C |
13 |
8 |
3417 |
◊ |
C |
y,x,-z |
7_555 |
13 |
8 |
3417 |
104.9 |
-3.8 |
0.112 |
0 |
0 |
0 |
0.113 |
Average: |
108.5 |
-3.9 |
0.121 |
0 |
0 |
0 |
0.113 |
5 |
10 |
|
C |
14 |
4 |
3417 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
12 |
3 |
3438 |
102.4 |
-0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
12 |
3 |
3417 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
11 |
3 |
3438 |
101.9 |
0.1 |
0.711 |
2 |
0 |
0 |
0.000 |
12 |
|
D |
15 |
4 |
3375 |
◊ |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
13 |
3 |
3466 |
99.9 |
-0.0 |
0.716 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
7 |
3 |
3375 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
9 |
3 |
3466 |
56.9 |
-0.8 |
0.534 |
1 |
0 |
0 |
0.000 |
Average: |
90.2 |
-0.3 |
0.649 |
1 |
0 |
0 |
0.000 |
6 |
14 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
10 |
4 |
3375 |
76.2 |
-1.0 |
0.733 |
0 |
0 |
0 |
0.071 |
7 |
15 |
|
[ACE]B:0 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
3438 |
74.9 |
-0.9 |
0.716 |
0 |
0 |
0 |
0.061 |
8 |
16 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
3417 |
73.8 |
-0.9 |
0.727 |
0 |
0 |
0 |
0.070 |
9 |
17 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
3466 |
71.3 |
-0.8 |
0.714 |
0 |
0 |
0 |
0.056 |
10 |
18 |
|
C |
8 |
2 |
3417 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
8 |
2 |
3466 |
61.7 |
0.7 |
0.790 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
8 |
2 |
3438 |
◊ |
D |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
8 |
2 |
3375 |
58.1 |
0.8 |
0.812 |
0 |
0 |
0 |
0.000 |
Average: |
59.9 |
0.8 |
0.801 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[IOD]A:36 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
3466 |
60.6 |
-0.5 |
0.703 |
0 |
0 |
0 |
0.077 |
21 |
|
[IOD]C:35 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
3417 |
58.8 |
-0.4 |
0.668 |
0 |
0 |
0 |
0.077 |
22 |
|
[IOD]A:35 |
1 |
1 |
144 |
f |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
9 |
3 |
3438 |
57.2 |
-0.6 |
0.674 |
0 |
0 |
0 |
0.077 |
23 |
|
[IOD]C:34 |
1 |
1 |
144 |
f |
D |
y,x,-z |
7_555 |
10 |
3 |
3375 |
54.2 |
-0.3 |
0.779 |
0 |
0 |
0 |
0.077 |
Average: |
57.7 |
-0.5 |
0.706 |
0 |
0 |
0 |
0.077 |
12 |
24 |
|
[IOD]A:38 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
3466 |
60.5 |
-0.4 |
0.750 |
0 |
0 |
0 |
0.031 |
13 |
25 |
|
[IOD]A:34 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
3466 |
58.0 |
-0.5 |
0.696 |
0 |
0 |
0 |
0.035 |
14 |
26 |
|
[IOD]B:34 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
3438 |
51.9 |
-0.5 |
0.716 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
C |
6 |
3 |
3417 |
◊ |
B |
y,x,-z |
7_555 |
6 |
3 |
3438 |
51.6 |
1.5 |
0.838 |
0 |
2 |
0 |
0.000 |
16 |
28 |
|
[ACE]B:0 |
3 |
1 |
172 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
2 |
3466 |
48.0 |
0.2 |
0.880 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[ACE]C:0 |
3 |
1 |
172 |
◊ |
D |
y,x,-z |
7_555 |
4 |
2 |
3375 |
47.3 |
0.3 |
0.886 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
C |
7 |
4 |
3417 |
◊ |
A |
y,x,-z |
7_555 |
3 |
2 |
3466 |
46.6 |
1.8 |
0.898 |
0 |
2 |
0 |
0.000 |
19 |
31 |
|
[ACE]A:0 |
3 |
1 |
171 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
2 |
3438 |
46.0 |
0.2 |
0.889 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[IOD]A:37 |
1 |
1 |
144 |
f |
[IOD]A:37 |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
144 |
45.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[IOD]B:34 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
3375 |
45.3 |
-0.1 |
0.813 |
0 |
0 |
0 |
0.006 |
22 |
34 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
C |
y,x,-z |
7_555 |
4 |
2 |
3417 |
44.7 |
0.2 |
0.881 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[IOD]A:34 |
1 |
1 |
144 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
3 |
3438 |
44.3 |
0.2 |
0.865 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[IOD]A:36 |
1 |
1 |
144 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
2 |
3438 |
40.1 |
0.1 |
0.846 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]C:35 |
1 |
1 |
144 |
◊ |
D |
y,x,-z |
7_555 |
5 |
2 |
3375 |
40.0 |
0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
38 |
|
[IOD]A:35 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
3466 |
38.5 |
-0.0 |
0.812 |
0 |
0 |
0 |
0.000 |
39 |
|
[IOD]C:34 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
3417 |
34.2 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
38.2 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
[IOD]B:35 |
1 |
1 |
144 |
f |
[IOD]B:35 |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
144 |
37.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[IOD]A:38 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
3375 |
36.2 |
0.3 |
0.884 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[IOD]A:38 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
3438 |
31.8 |
-0.1 |
0.794 |
0 |
0 |
0 |
0.004 |
28 |
43 |
|
[IOD]B:35 |
1 |
1 |
144 |
x |
B |
x,y,z |
1_555 |
4 |
1 |
3438 |
29.2 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
5 |
1 |
3417 |
x |
[IOD]A:37 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
144 |
29.0 |
-0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
45 |
|
D |
5 |
1 |
3375 |
x |
[IOD]B:35 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
1 |
1 |
144 |
27.7 |
-0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
46 |
|
[IOD]A:37 |
1 |
1 |
144 |
x |
A |
x,y,z |
1_555 |
4 |
1 |
3466 |
20.0 |
-0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
26.5 |
-0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
D |
4 |
2 |
3375 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
3466 |
28.4 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[IOD]A:36 |
1 |
1 |
144 |
◊ |
[IOD]A:35 |
x,y,z |
1_555 |
1 |
1 |
144 |
26.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[IOD]C:35 |
1 |
1 |
144 |
◊ |
[IOD]C:34 |
x,y,z |
1_555 |
1 |
1 |
144 |
25.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
D |
3 |
1 |
3375 |
x |
[IOD]A:37 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
144 |
23.9 |
-0.4 |
0.506 |
0 |
0 |
0 |
0.000 |
51 |
|
C |
3 |
1 |
3417 |
x |
[IOD]B:35 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
1 |
1 |
144 |
22.0 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
52 |
|
[IOD]B:35 |
1 |
1 |
144 |
x |
A |
x,y,z |
1_555 |
4 |
1 |
3466 |
21.6 |
-0.4 |
0.589 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]A:37 |
1 |
1 |
144 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
3438 |
16.1 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.000 |
Average: |
20.9 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
33 |
54 |
|
[IOD]C:34 |
1 |
1 |
144 |
◊ |
B |
y,x,-z |
7_555 |
2 |
1 |
3438 |
23.3 |
0.4 |
0.935 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
D |
3 |
1 |
3375 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
3438 |
22.2 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
3 |
1 |
3417 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
3466 |
18.6 |
-0.4 |
0.521 |
0 |
0 |
0 |
0.000 |
Average: |
20.4 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
35 |
57 |
|
[IOD]B:34 |
1 |
1 |
144 |
◊ |
[IOD]A:35 |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
144 |
17.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
D |
5 |
2 |
3375 |
◊ |
[ACE]A:0 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
2 |
1 |
171 |
15.1 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
C |
5 |
2 |
3417 |
◊ |
[ACE]B:0 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
172 |
14.4 |
-0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
C |
3 |
3 |
3417 |
◊ |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
3 |
3466 |
14.3 |
0.5 |
0.805 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
2 |
2 |
3375 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
2 |
3438 |
10.1 |
0.3 |
0.781 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[ACE]D:0 |
2 |
1 |
171 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
2 |
3466 |
11.0 |
0.0 |
0.802 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[IOD]A:34 |
1 |
1 |
144 |
f |
[ACE]A:0 |
x,y,z |
1_555 |
1 |
1 |
171 |
9.8 |
-0.1 |
0.816 |
0 |
0 |
0 |
0.010 |
41 |
64 |
|
[ACE]C:0 |
2 |
1 |
172 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
2 |
2 |
3438 |
2.8 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
|