## |
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 |
|
C |
79 |
25 |
9252 |
◊ |
D |
x-1,y,z+1 |
1_456 |
82 |
26 |
9222 |
821.3 |
-2.0 |
0.617 |
6 |
2 |
0 |
0.005 |
2 |
2 |
|
B |
71 |
25 |
8854 |
◊ |
A |
x,y,z |
1_555 |
71 |
24 |
9411 |
678.2 |
-0.1 |
0.753 |
8 |
0 |
0 |
0.003 |
3 |
3 |
|
A |
65 |
19 |
9411 |
◊ |
C |
x,y,z-1 |
1_554 |
65 |
18 |
9252 |
519.7 |
-3.7 |
0.465 |
1 |
8 |
0 |
0.151 |
4 |
|
B |
57 |
18 |
8854 |
◊ |
D |
x-1,y,z |
1_455 |
58 |
18 |
9222 |
475.6 |
-5.0 |
0.288 |
2 |
8 |
0 |
0.151 |
Average: |
497.6 |
-4.4 |
0.377 |
2 |
8 |
0 |
0.151 |
4 |
5 |
|
D |
43 |
15 |
9222 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
8854 |
429.2 |
-5.6 |
0.178 |
2 |
0 |
0 |
0.119 |
6 |
|
C |
41 |
14 |
9252 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
9411 |
427.8 |
-5.3 |
0.190 |
2 |
0 |
0 |
0.119 |
Average: |
428.5 |
-5.5 |
0.184 |
2 |
0 |
0 |
0.119 |
5 |
7 |
|
B |
32 |
12 |
8854 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
30 |
12 |
9411 |
249.8 |
0.2 |
0.719 |
1 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
26 |
9 |
9411 |
f |
[7MT]C:303 |
x,y,z-1 |
1_554 |
20 |
1 |
545 |
181.2 |
-1.5 |
0.852 |
0 |
0 |
0 |
0.046 |
9 |
|
B |
24 |
10 |
8854 |
f |
[7MT]D:303 |
x-1,y,z |
1_455 |
19 |
1 |
542 |
175.5 |
-2.2 |
0.810 |
0 |
0 |
0 |
0.046 |
Average: |
178.4 |
-1.8 |
0.831 |
0 |
0 |
0 |
0.046 |
7 |
10 |
|
D |
21 |
7 |
9222 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
9411 |
164.9 |
-1.0 |
0.448 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[7MT]C:303 |
16 |
1 |
545 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
9252 |
155.4 |
-1.7 |
0.766 |
0 |
0 |
0 |
0.027 |
12 |
|
[7MT]D:303 |
17 |
1 |
542 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
9222 |
148.8 |
-1.3 |
0.775 |
0 |
0 |
0 |
0.027 |
Average: |
152.1 |
-1.5 |
0.771 |
0 |
0 |
0 |
0.027 |
9 |
13 |
|
[7MT]A:304 |
17 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
9411 |
150.3 |
-2.0 |
0.814 |
0 |
0 |
0 |
0.036 |
10 |
14 |
|
B |
15 |
6 |
8854 |
◊ |
[7MT]A:304 |
-x+1,y-1/2,-z |
2_645 |
15 |
1 |
542 |
130.4 |
-0.9 |
0.817 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[TB]B:301 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8854 |
82.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.086 |
16 |
|
[TB]A:302 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9411 |
66.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
74.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
12 |
17 |
|
D |
15 |
6 |
9222 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
9252 |
79.7 |
1.1 |
0.809 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[TB]B:304 |
1 |
1 |
216 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
7 |
9222 |
68.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.055 |
19 |
|
[TB]C:301 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
9252 |
64.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
66.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.055 |
14 |
20 |
|
[TB]B:305 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
8854 |
67.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
15 |
21 |
|
[TB]A:303 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9411 |
65.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.057 |
16 |
22 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
9222 |
63.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.170 |
23 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9411 |
61.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
62.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.170 |
17 |
24 |
|
B |
10 |
5 |
8854 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
8 |
5 |
9252 |
61.9 |
0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
D |
10 |
4 |
9222 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9411 |
56.3 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[TB]B:303 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8854 |
56.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.067 |
27 |
|
[TB]A:301 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9411 |
44.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
50.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.067 |
20 |
28 |
|
[TB]B:302 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8854 |
54.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.069 |
21 |
29 |
|
[TB]A:303 |
1 |
1 |
216 |
f |
[TB]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
51.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.092 |
22 |
30 |
|
[TB]D:302 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9222 |
50.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.071 |
23 |
31 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
9222 |
49.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.240 |
32 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9252 |
49.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.240 |
33 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9411 |
49.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.240 |
34 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8854 |
49.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
49.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.240 |
24 |
35 |
|
[7MT]C:303 |
9 |
1 |
545 |
f |
[TB]C:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.065 |
36 |
|
[7MT]D:303 |
8 |
1 |
542 |
f |
[TB]D:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
43.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
25 |
37 |
|
[TB]D:302 |
1 |
1 |
216 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
6 |
1 |
9411 |
43.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[TB]A:303 |
1 |
1 |
216 |
f |
[TB]C:301 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
39.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.070 |
27 |
39 |
|
A |
3 |
1 |
9411 |
◊ |
[TB]D:301 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
38.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
40 |
|
B |
3 |
1 |
8854 |
◊ |
[TB]C:302 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
31.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
35.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
28 |
41 |
|
[TB]B:301 |
1 |
1 |
216 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
4 |
9222 |
38.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.030 |
42 |
|
[TB]A:302 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
4 |
9252 |
31.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
34.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
43 |
|
[TB]A:302 |
1 |
1 |
216 |
f |
[TB]C:301 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
35.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.062 |
30 |
44 |
|
[TB]B:304 |
1 |
1 |
216 |
f |
[TB]B:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
31 |
45 |
|
[TB]B:302 |
1 |
1 |
216 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
9411 |
32.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[TB]A:303 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
9252 |
30.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
B |
3 |
1 |
8854 |
◊ |
[7MT]C:303 |
x,y,z-1 |
1_554 |
2 |
1 |
545 |
25.2 |
0.7 |
0.866 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
3 |
1 |
9411 |
◊ |
[7MT]D:303 |
x-1,y,z |
1_455 |
3 |
1 |
542 |
17.8 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
21.5 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
D |
5 |
2 |
9222 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
9411 |
23.3 |
0.7 |
0.834 |
0 |
1 |
0 |
0.000 |
35 |
50 |
|
[TB]C:302 |
1 |
1 |
216 |
◊ |
D |
x-1,y,z+1 |
1_456 |
4 |
2 |
9222 |
22.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
51 |
|
C |
6 |
3 |
9252 |
◊ |
[TB]D:301 |
x-1,y,z+1 |
1_456 |
1 |
1 |
216 |
21.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
21.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
36 |
52 |
|
[TB]B:302 |
1 |
1 |
216 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
9222 |
13.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
37 |
53 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9252 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
54 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8854 |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
10.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
55 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8854 |
11.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.001 |
39 |
56 |
|
A |
1 |
1 |
9411 |
f |
[TB]C:301 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
6.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
40 |
57 |
|
D |
2 |
2 |
9222 |
◊ |
[7MT]A:304 |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
542 |
0.8 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|