| ## |
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 |
|
A |
224 |
52 |
9407 |
◊ |
A |
y,x,-z+1 |
7_556 |
221 |
52 |
9407 |
2331.3 |
-27.5 |
0.236 |
24 |
18 |
0 |
1.000 |
2 |
|
C |
214 |
51 |
9602 |
◊ |
B |
x,y,z |
1_555 |
226 |
53 |
8686 |
2261.2 |
-27.5 |
0.221 |
22 |
20 |
0 |
1.000 |
3 |
|
D |
189 |
51 |
7738 |
◊ |
D |
y,x,-z+1 |
7_556 |
188 |
50 |
7738 |
1970.5 |
-18.1 |
0.439 |
22 |
12 |
0 |
1.000 |
| Average: |
2187.7 |
-24.4 |
0.299 |
23 |
17 |
0 |
1.000 |
| 2 |
4 |
|
C |
63 |
13 |
9602 |
◊ |
A |
-y+1,-x+1,-z+3/2 |
8_666 |
61 |
14 |
9407 |
564.6 |
-11.4 |
0.098 |
2 |
0 |
0 |
0.989 |
| 3 |
5 |
|
D |
54 |
17 |
7738 |
◊ |
A |
y,x,-z+1 |
7_556 |
65 |
18 |
9407 |
550.0 |
-2.5 |
0.700 |
7 |
0 |
0 |
0.000 |
6 |
|
B |
56 |
18 |
8686 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
54 |
18 |
8686 |
491.1 |
-2.7 |
0.714 |
8 |
0 |
0 |
0.000 |
7 |
|
C |
57 |
18 |
9602 |
◊ |
C |
-y+1,-x+1,-z+3/2 |
8_666 |
54 |
19 |
9602 |
490.8 |
-3.0 |
0.666 |
8 |
0 |
0 |
0.000 |
| Average: |
510.7 |
-2.7 |
0.694 |
8 |
0 |
0 |
0.000 |
| 4 |
8 |
|
B |
39 |
10 |
8686 |
◊ |
C |
x-1/2,-y+3/2,-z+5/4 |
6_466 |
39 |
9 |
9602 |
377.6 |
-6.1 |
0.272 |
1 |
2 |
0 |
0.029 |
| 5 |
9 |
|
C |
38 |
9 |
9602 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
41 |
12 |
9407 |
366.5 |
-4.3 |
0.432 |
1 |
5 |
0 |
0.000 |
| 6 |
10 |
|
A |
28 |
7 |
9407 |
◊ |
C |
-x+1,-y+1,z-1/2 |
2_664 |
35 |
8 |
9602 |
268.4 |
-1.7 |
0.544 |
2 |
4 |
0 |
0.075 |
11 |
|
B |
23 |
7 |
8686 |
◊ |
A |
-y+1,-x+1,-z+3/2 |
8_666 |
29 |
7 |
9407 |
246.6 |
-2.6 |
0.467 |
1 |
5 |
0 |
0.075 |
| Average: |
257.5 |
-2.1 |
0.505 |
2 |
5 |
0 |
0.075 |
| 7 |
12 |
|
C |
37 |
12 |
9602 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
40 |
13 |
8686 |
262.4 |
-3.9 |
0.478 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
32 |
11 |
7738 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
9407 |
217.5 |
-2.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| Average: |
239.9 |
-3.4 |
0.486 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[PE4]D:603 |
11 |
1 |
480 |
◊ |
D |
x,y,z |
1_555 |
29 |
6 |
7738 |
193.7 |
2.3 |
0.319 |
2 |
0 |
0 |
0.000 |
15 |
|
[PE4]B:602 |
11 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
8686 |
123.1 |
1.0 |
0.286 |
0 |
0 |
0 |
0.000 |
| Average: |
158.4 |
1.6 |
0.303 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[PE4]C:601 |
22 |
1 |
612 |
◊ |
[PE4]C:601 |
-y+1,-x+1,-z+3/2 |
8_666 |
22 |
1 |
612 |
167.9 |
4.9 |
0.050 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
18 |
8 |
8686 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
21 |
7 |
9407 |
165.7 |
-3.6 |
0.215 |
0 |
0 |
0 |
0.015 |
| 11 |
18 |
|
[PE4]D:603 |
9 |
1 |
480 |
◊ |
A |
y,x,-z+1 |
7_556 |
26 |
6 |
9407 |
161.4 |
4.7 |
0.627 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[PE4]C:601 |
14 |
1 |
612 |
◊ |
C |
-y+1,-x+1,-z+3/2 |
8_666 |
28 |
6 |
9602 |
141.4 |
4.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[PE4]C:601 |
14 |
1 |
612 |
◊ |
C |
x,y,z |
1_555 |
28 |
6 |
9602 |
141.1 |
0.6 |
0.183 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[PE4]B:602 |
16 |
1 |
477 |
◊ |
[PE4]B:602 |
-y+1,-x+1,-z+3/2 |
8_666 |
16 |
1 |
477 |
132.2 |
5.3 |
0.109 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[PE4]B:602 |
11 |
1 |
477 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
27 |
6 |
8686 |
116.9 |
2.6 |
0.555 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[PE4]C:601 |
8 |
1 |
612 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
8686 |
51.5 |
-0.6 |
0.140 |
0 |
0 |
0 |
0.100 |
| 17 |
24 |
|
[CL]A:500 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9407 |
45.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.457 |
25 |
|
[CL]A:500 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+3/2 |
8_666 |
10 |
4 |
9602 |
37.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.457 |
| Average: |
41.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.457 |
| 18 |
26 |
|
[PE4]C:601 |
4 |
1 |
612 |
◊ |
[PE4]B:602 |
x,y,z |
1_555 |
7 |
1 |
477 |
41.5 |
0.7 |
0.124 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PE4]C:601 |
5 |
1 |
612 |
◊ |
[PE4]B:602 |
-y+1,-x+1,-z+3/2 |
8_666 |
7 |
1 |
477 |
40.8 |
1.0 |
0.132 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
D |
3 |
1 |
7738 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9602 |
35.4 |
0.9 |
0.859 |
1 |
2 |
0 |
0.000 |
29 |
|
D |
3 |
1 |
7738 |
◊ |
B |
y,x,-z+1 |
7_556 |
3 |
1 |
8686 |
24.1 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
29.7 |
0.5 |
0.729 |
1 |
1 |
0 |
0.000 |
| 21 |
30 |
|
[PE4]D:603 |
1 |
1 |
480 |
f |
[PE4]D:603 |
y,x,-z+1 |
7_556 |
1 |
1 |
480 |
23.0 |
-0.7 |
0.200 |
0 |
0 |
0 |
0.100 |
| 22 |
31 |
|
A |
2 |
1 |
9407 |
◊ |
B |
-x+1,-y+1,z-1/2 |
2_664 |
3 |
2 |
8686 |
21.4 |
0.5 |
0.803 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[PE4]C:601 |
4 |
1 |
612 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
3 |
2 |
8686 |
17.9 |
0.3 |
0.333 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[PE4]D:603 |
3 |
1 |
480 |
◊ |
D |
y,x,-z+1 |
7_556 |
2 |
1 |
7738 |
16.2 |
-0.4 |
0.197 |
0 |
0 |
0 |
0.031 |
| 25 |
34 |
|
[CL]A:500 |
1 |
1 |
125 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
3 |
1 |
8686 |
14.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
35 |
|
[CL]A:500 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
7_556 |
3 |
1 |
9407 |
11.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
12.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| 26 |
36 |
|
[PE4]B:602 |
2 |
1 |
477 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
9602 |
10.5 |
-0.1 |
0.249 |
0 |
0 |
0 |
0.100 |
| 27 |
37 |
|
[PE4]D:603 |
3 |
1 |
480 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9407 |
10.3 |
-0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[PE4]B:602 |
2 |
1 |
477 |
◊ |
C |
-y+1,-x+1,-z+3/2 |
8_666 |
2 |
1 |
9602 |
8.8 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
|