## |
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 |
|
E |
70 |
12 |
1959 |
◊ |
A |
x,y,z |
1_555 |
85 |
27 |
6806 |
760.4 |
-13.9 |
0.277 |
7 |
5 |
0 |
1.000 |
2 |
|
F |
63 |
11 |
1801 |
◊ |
B |
x,y,z |
1_555 |
82 |
26 |
6645 |
745.5 |
-13.2 |
0.293 |
9 |
4 |
0 |
1.000 |
Average: |
752.9 |
-13.5 |
0.285 |
8 |
5 |
0 |
1.000 |
2 |
3 |
|
D |
46 |
13 |
4776 |
◊ |
A |
x,y,z |
1_555 |
55 |
13 |
6806 |
422.3 |
-1.9 |
0.440 |
2 |
1 |
0 |
0.000 |
4 |
|
B |
51 |
14 |
6645 |
◊ |
C |
x,y,z-1 |
1_554 |
49 |
14 |
4740 |
418.8 |
-2.2 |
0.398 |
3 |
1 |
0 |
0.000 |
Average: |
420.5 |
-2.0 |
0.419 |
3 |
1 |
0 |
0.000 |
3 |
5 |
|
D |
35 |
12 |
4776 |
◊ |
B |
x,y,z |
1_555 |
43 |
13 |
6645 |
411.1 |
-3.5 |
0.299 |
3 |
4 |
0 |
0.000 |
6 |
|
C |
38 |
13 |
4740 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
6806 |
397.9 |
-3.2 |
0.315 |
3 |
4 |
0 |
0.000 |
Average: |
404.5 |
-3.4 |
0.307 |
3 |
4 |
0 |
0.000 |
4 |
7 |
|
D |
30 |
10 |
4776 |
x |
D |
-y-1,x-y,z+1/3 |
2_455 |
33 |
9 |
4776 |
290.7 |
1.6 |
0.679 |
5 |
6 |
0 |
0.000 |
8 |
|
C |
28 |
10 |
4740 |
x |
C |
-y,x-y,z+1/3 |
2_555 |
29 |
8 |
4740 |
289.2 |
1.9 |
0.700 |
5 |
6 |
0 |
0.000 |
Average: |
290.0 |
1.7 |
0.690 |
5 |
6 |
0 |
0.000 |
5 |
9 |
|
A |
19 |
7 |
6806 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
19 |
5 |
6645 |
166.1 |
-0.2 |
0.573 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
20 |
7 |
6645 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
18 |
6 |
6806 |
163.6 |
-0.2 |
0.579 |
3 |
0 |
0 |
0.000 |
Average: |
164.9 |
-0.2 |
0.576 |
3 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
16 |
8 |
4740 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
18 |
6 |
6806 |
133.4 |
-1.1 |
0.412 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
16 |
7 |
4776 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
15 |
5 |
6645 |
129.5 |
-1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
Average: |
131.5 |
-1.3 |
0.390 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
B |
13 |
4 |
6645 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
2 |
6806 |
120.6 |
0.4 |
0.652 |
0 |
2 |
0 |
0.000 |
14 |
|
B |
5 |
1 |
6645 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
6806 |
49.5 |
0.5 |
0.707 |
1 |
1 |
0 |
0.000 |
Average: |
85.0 |
0.5 |
0.679 |
1 |
2 |
0 |
0.000 |
8 |
15 |
|
[EDO]C:103 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
4740 |
115.6 |
3.2 |
0.519 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[EDO]A:201 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6806 |
106.9 |
3.5 |
0.479 |
2 |
0 |
0 |
0.000 |
10 |
17 |
|
[EDO]F:1001 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
6645 |
95.3 |
2.4 |
0.421 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
19 |
6 |
6645 |
◊ |
[EDO]C:102 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
90.4 |
2.0 |
0.262 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
C |
9 |
2 |
4740 |
x |
C |
-y,x-y,z-2/3 |
2_554 |
10 |
7 |
4740 |
90.1 |
-0.2 |
0.502 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
10 |
2 |
4776 |
x |
D |
-y-1,x-y,z-2/3 |
2_454 |
10 |
7 |
4776 |
88.2 |
0.4 |
0.567 |
1 |
0 |
0 |
0.000 |
Average: |
89.2 |
0.1 |
0.534 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[EDO]D:102 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
4776 |
83.3 |
2.5 |
0.490 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[EDO]C:101 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
4740 |
81.1 |
1.7 |
0.227 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]D:101 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
4776 |
79.5 |
1.9 |
0.251 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]C:104 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
4740 |
75.4 |
2.6 |
0.514 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]D:101 |
3 |
1 |
181 |
◊ |
D |
-y-1,x-y,z+1/3 |
2_455 |
11 |
6 |
4776 |
74.7 |
3.1 |
0.592 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]C:101 |
3 |
1 |
182 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
11 |
6 |
4740 |
74.6 |
3.0 |
0.582 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
A |
7 |
3 |
6806 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
3 |
4740 |
74.3 |
0.8 |
0.686 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
5 |
2 |
6645 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
3 |
4776 |
65.1 |
1.4 |
0.823 |
1 |
0 |
0 |
0.000 |
Average: |
69.7 |
1.1 |
0.754 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]C:105 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
4740 |
72.5 |
2.0 |
0.779 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]C:105 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6806 |
70.4 |
2.4 |
0.499 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]C:102 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
4740 |
61.1 |
1.4 |
0.180 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]F:1001 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
1801 |
45.8 |
-1.3 |
0.359 |
0 |
0 |
0 |
0.100 |
24 |
33 |
|
[EDO]D:102 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
6645 |
42.1 |
0.9 |
0.654 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]C:104 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
6806 |
41.3 |
0.9 |
0.647 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
D |
6 |
3 |
4776 |
f |
[EDO]D:102 |
-y-1,x-y,z+1/3 |
2_455 |
4 |
1 |
185 |
36.1 |
0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
C |
6 |
3 |
4740 |
f |
[EDO]C:104 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
184 |
34.9 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
E |
3 |
1 |
1959 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
1 |
1 |
6645 |
16.7 |
-0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
38 |
|
F |
2 |
1 |
1801 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
1 |
1 |
6806 |
8.0 |
-0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[EDO]C:104 |
2 |
1 |
184 |
f |
[EDO]C:103 |
x,y,z |
1_555 |
2 |
1 |
183 |
14.8 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
C |
1 |
1 |
4740 |
f |
[EDO]C:105 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
185 |
9.3 |
0.2 |
0.888 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
B |
1 |
1 |
6645 |
x |
B |
x,y,z-1 |
1_554 |
2 |
1 |
6645 |
4.2 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
1 |
1 |
6806 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
6806 |
1.9 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
|