| ## |
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 |
43 |
11 |
4804 |
◊ |
H |
x-1/2,-y+3/2,-z |
4_465 |
36 |
10 |
5020 |
403.9 |
-5.4 |
0.165 |
2 |
0 |
0 |
0.000 |
2 |
|
M |
38 |
10 |
4888 |
◊ |
J |
x,y,z |
1_555 |
42 |
10 |
5054 |
395.4 |
-6.2 |
0.140 |
2 |
0 |
0 |
0.000 |
| Average: |
399.6 |
-5.8 |
0.152 |
2 |
0 |
0 |
0.000 |
| 2 |
3 |
|
E |
42 |
10 |
4897 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
36 |
10 |
4852 |
329.0 |
-4.8 |
0.258 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
J |
38 |
11 |
5054 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
10 |
5020 |
315.1 |
-2.5 |
0.406 |
2 |
0 |
0 |
0.000 |
5 |
|
M |
35 |
11 |
4888 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
39 |
11 |
4804 |
309.7 |
-2.3 |
0.427 |
2 |
0 |
0 |
0.000 |
| Average: |
312.4 |
-2.4 |
0.416 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
N |
30 |
8 |
4983 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
4852 |
312.6 |
-4.8 |
0.189 |
4 |
1 |
0 |
0.000 |
7 |
|
E |
31 |
10 |
4897 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
34 |
8 |
4907 |
303.6 |
-2.8 |
0.392 |
4 |
3 |
0 |
0.000 |
| Average: |
308.1 |
-3.8 |
0.291 |
4 |
2 |
0 |
0.000 |
| 5 |
8 |
|
N |
31 |
9 |
4983 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
30 |
12 |
5054 |
307.1 |
-0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
9 |
|
H |
26 |
11 |
5020 |
◊ |
E |
x,y,z |
1_555 |
37 |
9 |
4897 |
286.8 |
-0.9 |
0.553 |
3 |
0 |
0 |
0.000 |
10 |
|
M |
25 |
11 |
4888 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
37 |
9 |
4852 |
276.6 |
-1.0 |
0.556 |
3 |
0 |
0 |
0.000 |
11 |
|
I |
36 |
8 |
4907 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
4804 |
276.1 |
-1.3 |
0.535 |
1 |
0 |
0 |
0.000 |
| Average: |
286.6 |
-0.9 |
0.570 |
2 |
0 |
0 |
0.000 |
| 6 |
12 |
|
N |
29 |
8 |
4983 |
◊ |
H |
x,y-1,z |
1_545 |
30 |
10 |
5020 |
270.7 |
-0.6 |
0.572 |
3 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[C2E]D:201 |
28 |
1 |
782 |
f |
E |
x,y,z |
1_555 |
30 |
7 |
4897 |
257.7 |
-1.7 |
0.609 |
5 |
0 |
0 |
0.100 |
14 |
|
[C2E]B:201 |
28 |
1 |
779 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
4852 |
256.6 |
-1.5 |
0.601 |
5 |
0 |
0 |
0.100 |
15 |
|
[C2E]M:201 |
28 |
1 |
777 |
f |
M |
x,y,z |
1_555 |
28 |
7 |
4888 |
255.7 |
-1.3 |
0.606 |
6 |
0 |
0 |
0.100 |
16 |
|
[C2E]E:201 |
28 |
1 |
783 |
f |
D |
x,y,z |
1_555 |
29 |
7 |
4804 |
255.2 |
-1.7 |
0.627 |
4 |
0 |
0 |
0.100 |
17 |
|
[C2E]B:202 |
29 |
1 |
777 |
f |
J |
x,y,z |
1_555 |
30 |
7 |
5054 |
254.2 |
-1.5 |
0.666 |
4 |
0 |
0 |
0.100 |
18 |
|
[C2E]H:201 |
28 |
1 |
775 |
f |
H |
x,y,z |
1_555 |
28 |
6 |
5020 |
250.8 |
-1.5 |
0.563 |
6 |
0 |
0 |
0.100 |
19 |
|
[C2E]M:202 |
27 |
1 |
772 |
f |
N |
x,y,z |
1_555 |
31 |
7 |
4983 |
248.7 |
-1.9 |
0.611 |
4 |
0 |
0 |
0.100 |
20 |
|
[C2E]I:201 |
28 |
1 |
778 |
f |
I |
x,y,z |
1_555 |
29 |
7 |
4907 |
247.7 |
-1.8 |
0.612 |
4 |
0 |
0 |
0.100 |
| Average: |
253.3 |
-1.6 |
0.612 |
5 |
0 |
0 |
0.100 |
| 8 |
21 |
|
[C2E]E:201 |
26 |
1 |
783 |
◊ |
E |
x,y,z |
1_555 |
27 |
7 |
4897 |
246.7 |
-1.0 |
0.630 |
4 |
0 |
0 |
0.000 |
22 |
|
[C2E]D:201 |
24 |
1 |
782 |
◊ |
D |
x,y,z |
1_555 |
31 |
8 |
4804 |
238.6 |
-1.1 |
0.611 |
5 |
0 |
0 |
0.000 |
23 |
|
[C2E]H:201 |
26 |
1 |
775 |
◊ |
I |
x,y,z |
1_555 |
31 |
8 |
4907 |
234.2 |
-0.9 |
0.604 |
3 |
0 |
0 |
0.000 |
24 |
|
[C2E]B:201 |
24 |
1 |
779 |
◊ |
J |
x,y,z |
1_555 |
30 |
8 |
5054 |
233.2 |
0.7 |
0.707 |
5 |
0 |
0 |
0.000 |
25 |
|
[C2E]I:201 |
24 |
1 |
778 |
◊ |
H |
x,y,z |
1_555 |
29 |
8 |
5020 |
232.2 |
0.2 |
0.673 |
4 |
0 |
0 |
0.000 |
26 |
|
[C2E]M:201 |
24 |
1 |
777 |
◊ |
N |
x,y,z |
1_555 |
33 |
8 |
4983 |
223.2 |
-1.0 |
0.620 |
4 |
0 |
0 |
0.000 |
27 |
|
[C2E]M:202 |
23 |
1 |
772 |
◊ |
M |
x,y,z |
1_555 |
27 |
8 |
4888 |
218.4 |
-1.2 |
0.598 |
3 |
0 |
0 |
0.000 |
28 |
|
[C2E]B:202 |
23 |
1 |
777 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
4852 |
209.4 |
-2.2 |
0.573 |
2 |
0 |
0 |
0.000 |
| Average: |
229.5 |
-0.8 |
0.627 |
4 |
0 |
0 |
0.000 |
| 9 |
29 |
|
[C2E]B:202 |
26 |
1 |
777 |
◊ |
[C2E]B:201 |
x,y,z |
1_555 |
26 |
1 |
779 |
211.5 |
3.3 |
0.842 |
3 |
0 |
0 |
0.000 |
30 |
|
[C2E]I:201 |
25 |
1 |
778 |
◊ |
[C2E]H:201 |
x,y,z |
1_555 |
25 |
1 |
775 |
211.3 |
3.4 |
0.833 |
3 |
0 |
0 |
0.000 |
31 |
|
[C2E]E:201 |
25 |
1 |
783 |
◊ |
[C2E]D:201 |
x,y,z |
1_555 |
26 |
1 |
782 |
211.3 |
3.4 |
0.842 |
2 |
0 |
0 |
0.000 |
32 |
|
[C2E]M:202 |
25 |
1 |
772 |
◊ |
[C2E]M:201 |
x,y,z |
1_555 |
26 |
1 |
777 |
208.7 |
3.4 |
0.841 |
4 |
0 |
0 |
0.000 |
| Average: |
210.7 |
3.4 |
0.839 |
3 |
0 |
0 |
0.000 |
| 10 |
33 |
|
J |
20 |
7 |
5054 |
◊ |
I |
x,y,z |
1_555 |
27 |
10 |
4907 |
177.4 |
-0.9 |
0.467 |
0 |
0 |
0 |
0.000 |
| 11 |
34 |
|
J |
20 |
9 |
5054 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
6 |
4897 |
174.1 |
1.0 |
0.756 |
4 |
3 |
0 |
0.000 |
35 |
|
B |
19 |
6 |
4852 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
10 |
4804 |
173.8 |
0.8 |
0.682 |
3 |
4 |
0 |
0.000 |
| Average: |
174.0 |
0.9 |
0.719 |
4 |
4 |
0 |
0.000 |
| 12 |
36 |
|
M |
14 |
4 |
4888 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
4804 |
123.7 |
-2.2 |
0.262 |
0 |
0 |
0 |
0.000 |
| 13 |
37 |
|
N |
9 |
3 |
4983 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
4907 |
89.2 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.000 |
| 14 |
38 |
|
I |
11 |
4 |
4907 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
5020 |
77.5 |
1.7 |
0.843 |
0 |
0 |
0 |
0.000 |
39 |
|
E |
10 |
3 |
4897 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
4804 |
69.1 |
1.2 |
0.831 |
0 |
0 |
0 |
0.000 |
40 |
|
J |
9 |
3 |
5054 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
4852 |
64.5 |
1.6 |
0.872 |
0 |
0 |
0 |
0.000 |
41 |
|
N |
8 |
2 |
4983 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
4888 |
58.4 |
1.3 |
0.850 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
1.4 |
0.849 |
0 |
0 |
0 |
0.000 |
| 15 |
42 |
|
D |
7 |
2 |
4804 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
4907 |
69.8 |
1.4 |
0.851 |
0 |
0 |
0 |
0.000 |
43 |
|
N |
8 |
3 |
4983 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
5054 |
69.4 |
1.5 |
0.856 |
0 |
0 |
0 |
0.000 |
| Average: |
69.6 |
1.5 |
0.853 |
0 |
0 |
0 |
0.000 |
| 16 |
44 |
|
M |
5 |
3 |
4888 |
◊ |
H |
x-1/2,-y+3/2,-z |
4_465 |
11 |
4 |
5020 |
60.6 |
0.2 |
0.661 |
2 |
2 |
0 |
0.000 |
| 17 |
45 |
|
J |
5 |
2 |
5054 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
5 |
2 |
4804 |
46.1 |
1.0 |
0.840 |
2 |
0 |
0 |
0.000 |
| 18 |
46 |
|
D |
3 |
1 |
4804 |
◊ |
[C2E]H:201 |
x-1/2,-y+3/2,-z |
4_465 |
5 |
1 |
775 |
29.7 |
-0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
47 |
|
[C2E]M:201 |
4 |
1 |
777 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
5054 |
26.4 |
0.0 |
0.385 |
0 |
0 |
0 |
0.000 |
| Average: |
28.1 |
-0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
| 19 |
48 |
|
M |
5 |
3 |
4888 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
4907 |
28.6 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
| 20 |
49 |
|
N |
2 |
2 |
4983 |
◊ |
[C2E]B:201 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
779 |
20.3 |
0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
50 |
|
[C2E]D:201 |
2 |
1 |
782 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
4907 |
9.9 |
-0.4 |
0.406 |
0 |
0 |
0 |
0.000 |
51 |
|
[C2E]M:202 |
1 |
1 |
772 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
4852 |
5.5 |
-0.3 |
0.299 |
0 |
0 |
0 |
0.000 |
52 |
|
[C2E]I:201 |
2 |
1 |
778 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
4897 |
3.2 |
-0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
-0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
| 21 |
53 |
|
E |
3 |
1 |
4897 |
◊ |
[C2E]I:201 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
778 |
10.3 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
| 22 |
54 |
|
[C2E]B:201 |
1 |
1 |
779 |
◊ |
N |
x,y,z |
1_555 |
3 |
2 |
4983 |
8.8 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
55 |
|
[C2E]D:201 |
1 |
1 |
782 |
◊ |
I |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
4907 |
8.4 |
-0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
| Average: |
8.6 |
-0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
|