| ## |
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 |
|
J |
65 |
8 |
3070 |
◊ |
B |
x,y,z |
1_555 |
79 |
31 |
18296 |
655.5 |
-11.1 |
0.282 |
13 |
0 |
0 |
0.677 |
2 |
|
E |
68 |
8 |
3079 |
◊ |
A |
x,y,z |
1_555 |
83 |
29 |
18177 |
655.3 |
-12.8 |
0.261 |
13 |
0 |
0 |
0.677 |
| Average: |
655.4 |
-11.9 |
0.271 |
13 |
0 |
0 |
0.677 |
| 2 |
3 |
|
D |
72 |
10 |
2914 |
◊ |
A |
x,y,z |
1_555 |
75 |
25 |
18177 |
609.8 |
-14.1 |
0.313 |
13 |
0 |
0 |
0.726 |
4 |
|
H |
62 |
9 |
2944 |
◊ |
B |
x,y,z |
1_555 |
70 |
25 |
18296 |
570.9 |
-15.5 |
0.235 |
14 |
0 |
0 |
0.726 |
| Average: |
590.4 |
-14.8 |
0.274 |
14 |
0 |
0 |
0.726 |
| 3 |
5 |
|
J |
63 |
13 |
3070 |
◊ |
H |
x,y,z |
1_555 |
62 |
12 |
2944 |
570.8 |
-4.4 |
0.728 |
26 |
0 |
0 |
1.000 |
6 |
|
E |
55 |
13 |
3079 |
◊ |
D |
x,y,z |
1_555 |
57 |
12 |
2914 |
549.3 |
-3.2 |
0.743 |
29 |
0 |
0 |
1.000 |
| Average: |
560.1 |
-3.8 |
0.735 |
28 |
0 |
0 |
1.000 |
| 4 |
7 |
|
A |
64 |
23 |
18177 |
◊ |
B |
x,y-1,z |
1_545 |
62 |
17 |
18296 |
542.1 |
-1.8 |
0.431 |
1 |
2 |
0 |
0.000 |
| 5 |
8 |
|
A |
42 |
12 |
18177 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
43 |
12 |
18296 |
416.5 |
-3.6 |
0.251 |
4 |
2 |
0 |
0.000 |
| 6 |
9 |
|
B |
37 |
9 |
18296 |
x |
B |
x-1,y,z-1 |
1_454 |
38 |
10 |
18296 |
359.9 |
1.1 |
0.651 |
3 |
0 |
0 |
0.000 |
10 |
|
A |
37 |
11 |
18177 |
x |
A |
x-1,y,z-1 |
1_454 |
36 |
10 |
18177 |
353.2 |
0.8 |
0.611 |
3 |
1 |
0 |
0.000 |
| Average: |
356.6 |
0.9 |
0.631 |
3 |
1 |
0 |
0.000 |
| 7 |
11 |
|
B |
35 |
10 |
18296 |
x |
B |
x,y,z-1 |
1_554 |
32 |
9 |
18296 |
317.0 |
-6.1 |
0.070 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
30 |
9 |
18177 |
x |
A |
x-1,y,z |
1_455 |
39 |
12 |
18177 |
313.4 |
-4.6 |
0.151 |
3 |
0 |
0 |
0.000 |
| Average: |
315.2 |
-5.4 |
0.111 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
29 |
10 |
18177 |
◊ |
B |
x,y-1,z-1 |
1_544 |
25 |
10 |
18296 |
273.3 |
1.7 |
0.656 |
3 |
2 |
0 |
0.000 |
| 9 |
14 |
|
A |
30 |
8 |
18177 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
22 |
2 |
3070 |
218.1 |
1.6 |
0.691 |
3 |
0 |
0 |
0.000 |
15 |
|
E |
20 |
2 |
3079 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
7 |
18296 |
211.9 |
1.1 |
0.648 |
2 |
0 |
0 |
0.000 |
| Average: |
215.0 |
1.3 |
0.669 |
3 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[DDG]D:813 |
18 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
33 |
16 |
18177 |
210.8 |
2.3 |
0.436 |
0 |
0 |
0 |
0.000 |
17 |
|
[DDG]H:1813 |
18 |
1 |
456 |
◊ |
B |
x,y,z |
1_555 |
33 |
15 |
18296 |
203.0 |
2.8 |
0.437 |
0 |
0 |
0 |
0.000 |
| Average: |
206.9 |
2.5 |
0.437 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[DDG]H:1813 |
15 |
1 |
456 |
cf |
H |
x,y,z |
1_555 |
13 |
1 |
2944 |
113.4 |
2.8 |
0.476 |
0 |
0 |
0 |
0.000 |
19 |
|
[DDG]D:813 |
14 |
1 |
466 |
cf |
D |
x,y,z |
1_555 |
14 |
1 |
2914 |
110.1 |
2.8 |
0.527 |
0 |
0 |
0 |
0.000 |
| Average: |
111.7 |
2.8 |
0.502 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
D |
13 |
1 |
2914 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
18296 |
99.4 |
-0.1 |
0.612 |
1 |
0 |
0 |
0.000 |
21 |
|
A |
14 |
4 |
18177 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
13 |
2 |
2944 |
84.6 |
-1.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| Average: |
92.0 |
-0.6 |
0.559 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[DDG]D:813 |
6 |
1 |
466 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
3079 |
70.4 |
0.3 |
0.461 |
4 |
0 |
0 |
0.121 |
23 |
|
[DDG]H:1813 |
6 |
1 |
456 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3070 |
59.8 |
-0.0 |
0.380 |
4 |
0 |
0 |
0.121 |
| Average: |
65.1 |
0.1 |
0.420 |
4 |
0 |
0 |
0.121 |
| 14 |
24 |
|
[CA]B:1415 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18296 |
37.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.323 |
25 |
|
[CA]A:415 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18177 |
37.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.323 |
| Average: |
37.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.323 |
| 15 |
26 |
|
H |
5 |
1 |
2944 |
◊ |
B |
x-1,y,z-1 |
1_454 |
5 |
1 |
18296 |
31.5 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
5 |
1 |
18177 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
1 |
2914 |
22.8 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
| Average: |
27.1 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
B |
6 |
4 |
18296 |
x |
B |
x-1,y,z |
1_455 |
6 |
2 |
18296 |
31.4 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
3 |
18177 |
x |
A |
x,y,z-1 |
1_554 |
5 |
3 |
18177 |
28.7 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[CA]E:416 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
3079 |
28.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.210 |
| 18 |
31 |
|
[DDG]D:813 |
3 |
1 |
466 |
◊ |
[CA]A:415 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.177 |
32 |
|
[DDG]H:1813 |
3 |
1 |
456 |
◊ |
[CA]B:1415 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.177 |
| Average: |
25.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.177 |
| 19 |
33 |
|
J |
1 |
1 |
3070 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
18296 |
23.1 |
-0.5 |
0.337 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
5 |
2 |
18177 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
3079 |
21.7 |
-0.6 |
0.406 |
0 |
0 |
0 |
0.000 |
| Average: |
22.4 |
-0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[CA]A:415 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2914 |
5.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.031 |
36 |
|
[CA]B:1415 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2944 |
4.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
4.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 21 |
37 |
|
[CA]E:416 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2914 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 22 |
38 |
|
A |
1 |
1 |
18177 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
18296 |
0.6 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|