| ## |
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 |
190 |
54 |
24524 |
◊ |
B |
x,y,z |
1_555 |
191 |
54 |
24678 |
1878.4 |
-10.5 |
0.133 |
35 |
9 |
0 |
0.316 |
2 |
|
D |
188 |
55 |
24618 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
24675 |
1864.7 |
-10.2 |
0.144 |
32 |
10 |
0 |
0.316 |
| Average: |
1871.5 |
-10.4 |
0.138 |
34 |
10 |
0 |
0.316 |
| 2 |
3 |
|
D |
69 |
27 |
24618 |
◊ |
B |
x,y,z |
1_555 |
73 |
27 |
24678 |
702.5 |
4.0 |
0.804 |
16 |
8 |
0 |
0.048 |
4 |
|
C |
67 |
26 |
24524 |
◊ |
A |
x,y,z |
1_555 |
68 |
27 |
24675 |
644.8 |
3.3 |
0.786 |
17 |
8 |
0 |
0.048 |
| Average: |
673.7 |
3.6 |
0.795 |
17 |
8 |
0 |
0.048 |
| 3 |
5 |
|
D |
76 |
25 |
24618 |
◊ |
C |
x,y,z |
1_555 |
72 |
25 |
24524 |
678.8 |
-2.6 |
0.371 |
6 |
4 |
0 |
0.052 |
6 |
|
B |
72 |
25 |
24678 |
◊ |
A |
x,y,z |
1_555 |
70 |
25 |
24675 |
669.1 |
-3.4 |
0.286 |
3 |
0 |
0 |
0.052 |
| Average: |
673.9 |
-3.0 |
0.329 |
5 |
2 |
0 |
0.052 |
| 4 |
7 |
|
B |
46 |
12 |
24678 |
◊ |
A |
x,y,z-1 |
1_554 |
53 |
13 |
24675 |
476.5 |
-1.8 |
0.331 |
5 |
2 |
0 |
0.000 |
| 5 |
8 |
|
C |
27 |
9 |
24524 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
24675 |
305.4 |
4.2 |
0.884 |
5 |
10 |
0 |
0.000 |
9 |
|
D |
34 |
12 |
24618 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
10 |
24678 |
304.2 |
3.2 |
0.841 |
6 |
7 |
0 |
0.000 |
| Average: |
304.8 |
3.7 |
0.862 |
6 |
9 |
0 |
0.000 |
| 6 |
10 |
|
D |
31 |
12 |
24618 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
11 |
24678 |
287.5 |
3.9 |
0.880 |
4 |
3 |
0 |
0.000 |
| 7 |
11 |
|
A |
29 |
9 |
24675 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
5 |
24524 |
199.9 |
1.2 |
0.668 |
1 |
1 |
0 |
0.000 |
| 8 |
12 |
|
[XYP]D:702 |
10 |
1 |
273 |
f |
D |
x,y,z |
1_555 |
30 |
13 |
24618 |
174.5 |
-5.3 |
0.468 |
6 |
0 |
0 |
0.197 |
13 |
|
[XYP]A:701 |
10 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
24675 |
173.3 |
-5.5 |
0.424 |
6 |
0 |
0 |
0.197 |
14 |
|
[XYP]B:701 |
10 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
24678 |
172.9 |
-5.5 |
0.430 |
6 |
0 |
0 |
0.197 |
15 |
|
[XYP]C:701 |
10 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
24524 |
172.4 |
-5.3 |
0.458 |
6 |
0 |
0 |
0.197 |
| Average: |
173.3 |
-5.4 |
0.445 |
6 |
0 |
0 |
0.197 |
| 9 |
16 |
|
[XYS]C:707 |
10 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
35 |
12 |
24524 |
171.0 |
2.0 |
0.436 |
3 |
0 |
0 |
0.000 |
17 |
|
[XYS]B:707 |
10 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
24678 |
169.8 |
2.1 |
0.431 |
3 |
0 |
0 |
0.000 |
18 |
|
[XYS]D:709 |
10 |
1 |
268 |
f |
D |
x,y,z |
1_555 |
32 |
12 |
24618 |
169.6 |
1.9 |
0.405 |
3 |
0 |
0 |
0.000 |
| Average: |
170.1 |
2.0 |
0.424 |
3 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[XYS]A:709 |
10 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
24675 |
167.4 |
2.1 |
0.440 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[XYP]C:705 |
10 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
24524 |
154.5 |
-5.2 |
0.460 |
3 |
0 |
0 |
0.156 |
21 |
|
[XYP]D:706 |
10 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
24618 |
152.0 |
-5.1 |
0.473 |
3 |
0 |
0 |
0.156 |
22 |
|
[XYP]A:705 |
10 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
24675 |
152.0 |
-5.1 |
0.470 |
3 |
0 |
0 |
0.156 |
| Average: |
152.8 |
-5.1 |
0.468 |
3 |
0 |
0 |
0.156 |
| 12 |
23 |
|
[XYP]D:707 |
10 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
24618 |
152.8 |
-0.9 |
0.791 |
3 |
0 |
0 |
0.027 |
| 13 |
24 |
|
[XYP]B:706 |
10 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
24678 |
152.5 |
-4.4 |
0.492 |
3 |
0 |
0 |
0.066 |
| 14 |
25 |
|
[XYS]C:706 |
10 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
26 |
8 |
24524 |
149.6 |
1.6 |
0.406 |
2 |
0 |
0 |
0.000 |
26 |
|
[XYS]B:708 |
10 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
24678 |
148.5 |
1.9 |
0.417 |
2 |
0 |
0 |
0.000 |
27 |
|
[XYS]D:710 |
10 |
1 |
268 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
24618 |
147.6 |
1.9 |
0.434 |
2 |
0 |
0 |
0.000 |
28 |
|
[XYS]A:708 |
10 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
24675 |
146.8 |
1.8 |
0.419 |
2 |
0 |
0 |
0.000 |
| Average: |
148.1 |
1.8 |
0.419 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[XYP]C:704 |
10 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
24524 |
147.3 |
-4.7 |
0.555 |
3 |
0 |
0 |
0.073 |
30 |
|
[XYP]D:708 |
9 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
24618 |
146.2 |
-4.7 |
0.509 |
3 |
0 |
0 |
0.073 |
| Average: |
146.8 |
-4.7 |
0.532 |
3 |
0 |
0 |
0.073 |
| 16 |
31 |
|
[XYP]B:705 |
10 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
24678 |
146.8 |
-4.5 |
0.579 |
2 |
0 |
0 |
0.069 |
32 |
|
[XYP]A:706 |
10 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
24675 |
144.7 |
-4.4 |
0.563 |
3 |
0 |
0 |
0.069 |
| Average: |
145.8 |
-4.4 |
0.571 |
3 |
0 |
0 |
0.069 |
| 17 |
33 |
|
[XYP]D:703 |
10 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
24618 |
122.2 |
-3.1 |
0.592 |
3 |
0 |
0 |
0.108 |
34 |
|
[XYP]A:702 |
10 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
24675 |
121.7 |
-3.1 |
0.565 |
3 |
0 |
0 |
0.108 |
35 |
|
[XYP]B:702 |
10 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
24678 |
118.8 |
-3.2 |
0.498 |
2 |
0 |
0 |
0.108 |
| Average: |
120.9 |
-3.1 |
0.552 |
3 |
0 |
0 |
0.108 |
| 18 |
36 |
|
[XYP]A:707 |
10 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
24675 |
122.0 |
-0.7 |
0.743 |
1 |
0 |
0 |
0.012 |
37 |
|
[XYP]D:701 |
10 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
24618 |
119.5 |
-0.8 |
0.746 |
1 |
0 |
0 |
0.012 |
| Average: |
120.8 |
-0.7 |
0.745 |
1 |
0 |
0 |
0.012 |
| 19 |
38 |
|
[XYP]A:704 |
9 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
24675 |
118.2 |
-2.2 |
0.745 |
1 |
0 |
0 |
0.032 |
| 20 |
39 |
|
[XYP]C:703 |
9 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
24524 |
117.7 |
-1.4 |
0.764 |
2 |
0 |
0 |
0.026 |
| 21 |
40 |
|
[XYP]C:702 |
9 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
24524 |
117.1 |
-3.6 |
0.572 |
3 |
0 |
0 |
0.056 |
| 22 |
41 |
|
[XYP]B:704 |
10 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
24678 |
116.0 |
-1.3 |
0.779 |
3 |
0 |
0 |
0.033 |
42 |
|
[XYP]D:705 |
9 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
24618 |
115.3 |
-1.4 |
0.770 |
3 |
0 |
0 |
0.033 |
| Average: |
115.7 |
-1.4 |
0.774 |
3 |
0 |
0 |
0.033 |
| 23 |
43 |
|
C |
12 |
6 |
24524 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
24678 |
112.4 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[XYP]D:704 |
10 |
1 |
271 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
24618 |
109.1 |
-1.5 |
0.758 |
1 |
0 |
0 |
0.024 |
| 25 |
45 |
|
[XYP]D:701 |
10 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
24524 |
106.7 |
-3.7 |
0.656 |
2 |
0 |
0 |
0.104 |
46 |
|
[XYP]A:707 |
10 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
24678 |
103.7 |
-3.6 |
0.646 |
2 |
0 |
0 |
0.104 |
| Average: |
105.2 |
-3.6 |
0.651 |
2 |
0 |
0 |
0.104 |
| 26 |
47 |
|
[XYS]C:708 |
9 |
1 |
269 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
24524 |
102.4 |
1.7 |
0.431 |
1 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[XYP]A:703 |
9 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
24675 |
101.6 |
-1.2 |
0.706 |
1 |
0 |
0 |
0.008 |
| 28 |
49 |
|
[XYP]B:703 |
9 |
1 |
270 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
24678 |
98.8 |
-1.9 |
0.414 |
0 |
0 |
0 |
0.009 |
| 29 |
50 |
|
[XYP]A:703 |
7 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
13 |
2 |
24524 |
77.8 |
-0.5 |
0.689 |
0 |
0 |
0 |
0.005 |
| 30 |
51 |
|
[XYP]D:704 |
6 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
24678 |
77.7 |
-1.5 |
0.615 |
0 |
0 |
0 |
0.007 |
| 31 |
52 |
|
[XYP]B:703 |
8 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
12 |
2 |
24618 |
75.6 |
-0.4 |
0.698 |
0 |
0 |
0 |
0.005 |
| 32 |
53 |
|
[XYS]C:708 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
12 |
2 |
24675 |
74.0 |
0.7 |
0.365 |
0 |
0 |
0 |
0.000 |
| 33 |
54 |
|
[XYS]A:709 |
4 |
1 |
268 |
f |
[XYS]A:708 |
x,y,z |
1_555 |
4 |
1 |
268 |
46.3 |
0.9 |
0.306 |
0 |
0 |
0 |
0.000 |
| 34 |
55 |
|
[XYP]B:704 |
4 |
1 |
271 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
24618 |
39.4 |
-2.5 |
0.198 |
0 |
0 |
0 |
0.023 |
56 |
|
[XYP]D:705 |
4 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
24678 |
36.7 |
-1.7 |
0.610 |
1 |
0 |
0 |
0.023 |
| Average: |
38.0 |
-2.1 |
0.404 |
1 |
0 |
0 |
0.023 |
| 35 |
57 |
|
[XYP]D:705 |
4 |
1 |
272 |
f |
[XYP]B:703 |
x,y,z |
1_555 |
3 |
1 |
270 |
37.7 |
-2.1 |
0.598 |
0 |
0 |
0 |
0.026 |
| 36 |
58 |
|
C |
4 |
2 |
24524 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
24678 |
35.7 |
-0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
[XYP]D:704 |
4 |
1 |
271 |
◊ |
[XYP]B:704 |
x,y,z |
1_555 |
4 |
1 |
271 |
35.5 |
-0.3 |
0.834 |
0 |
0 |
0 |
0.002 |
| 38 |
60 |
|
[XYP]C:703 |
5 |
1 |
271 |
f |
[XYP]A:703 |
x,y,z |
1_555 |
3 |
1 |
271 |
33.9 |
-2.3 |
0.633 |
0 |
0 |
0 |
0.026 |
| 39 |
61 |
|
[XYS]C:708 |
5 |
1 |
269 |
f |
[XYP]A:704 |
x,y,z |
1_555 |
5 |
1 |
272 |
33.5 |
-1.2 |
0.378 |
0 |
0 |
0 |
0.015 |
| 40 |
62 |
|
[XYS]B:708 |
4 |
1 |
268 |
f |
[XYS]B:707 |
x,y,z |
1_555 |
4 |
1 |
268 |
32.9 |
1.2 |
0.385 |
0 |
0 |
0 |
0.000 |
63 |
|
[XYS]C:707 |
4 |
1 |
268 |
f |
[XYS]C:706 |
x,y,z |
1_555 |
4 |
1 |
268 |
31.9 |
1.1 |
0.366 |
0 |
0 |
0 |
0.000 |
64 |
|
[XYS]D:710 |
4 |
1 |
268 |
f |
[XYS]D:709 |
x,y,z |
1_555 |
4 |
1 |
268 |
31.4 |
1.2 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
32.1 |
1.2 |
0.380 |
0 |
0 |
0 |
0.000 |
| 41 |
65 |
|
D |
6 |
4 |
24618 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
24675 |
31.5 |
-0.9 |
0.271 |
0 |
0 |
0 |
0.000 |
| 42 |
66 |
|
[XYP]C:703 |
3 |
1 |
271 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
24675 |
23.0 |
-1.6 |
0.395 |
0 |
0 |
0 |
0.008 |
| 43 |
67 |
|
[XYP]A:704 |
4 |
1 |
272 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
24524 |
10.4 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.001 |
| 44 |
68 |
|
[XYS]D:710 |
1 |
1 |
268 |
f |
[XYP]D:707 |
x,y,z |
1_555 |
2 |
1 |
270 |
5.4 |
0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
|