| ## |
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 |
|
B |
97 |
30 |
18173 |
◊ |
A |
x,y,z |
1_555 |
131 |
41 |
17249 |
1077.7 |
-11.0 |
0.070 |
9 |
3 |
0 |
0.000 |
2 |
|
A |
93 |
29 |
17249 |
◊ |
B |
x-1,y,z |
1_455 |
122 |
40 |
18173 |
1024.0 |
-9.4 |
0.138 |
11 |
4 |
0 |
0.000 |
3 |
|
D |
108 |
38 |
17462 |
◊ |
C |
x,y,z |
1_555 |
89 |
29 |
17870 |
879.2 |
-9.4 |
0.164 |
9 |
3 |
0 |
0.000 |
4 |
|
C |
108 |
36 |
17870 |
◊ |
D |
x,y-1,z |
1_545 |
93 |
29 |
17462 |
875.0 |
-7.9 |
0.249 |
8 |
5 |
0 |
0.000 |
| Average: |
964.0 |
-9.4 |
0.155 |
9 |
4 |
0 |
0.000 |
| 2 |
5 |
|
C |
59 |
17 |
17870 |
◊ |
A |
x,y,z-1 |
1_554 |
70 |
20 |
17249 |
595.1 |
-1.1 |
0.668 |
9 |
1 |
0 |
0.000 |
| 3 |
6 |
|
C |
64 |
18 |
17870 |
◊ |
B |
x,y-1,z |
1_545 |
46 |
12 |
18173 |
535.3 |
-2.0 |
0.554 |
12 |
0 |
0 |
0.000 |
7 |
|
C |
44 |
12 |
17870 |
◊ |
B |
x-1,y,z |
1_455 |
57 |
17 |
18173 |
524.4 |
-2.0 |
0.526 |
12 |
0 |
0 |
0.000 |
| Average: |
529.9 |
-2.0 |
0.540 |
12 |
0 |
0 |
0.000 |
| 4 |
8 |
|
D |
44 |
15 |
17462 |
◊ |
B |
x,y,z-1 |
1_554 |
39 |
14 |
18173 |
358.2 |
2.5 |
0.850 |
4 |
4 |
0 |
0.000 |
| 5 |
9 |
|
D |
34 |
7 |
17462 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
18173 |
352.8 |
-2.5 |
0.381 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
42 |
13 |
17870 |
◊ |
A |
x,y,z |
1_555 |
30 |
7 |
17249 |
332.7 |
-1.1 |
0.486 |
3 |
1 |
0 |
0.000 |
| Average: |
342.7 |
-1.8 |
0.434 |
3 |
1 |
0 |
0.000 |
| 6 |
11 |
|
[GRZ]D:504 |
24 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
48 |
14 |
17462 |
301.6 |
-4.6 |
0.423 |
2 |
0 |
0 |
0.004 |
12 |
|
[GRZ]C:504 |
24 |
1 |
540 |
f |
C |
x,y,z |
1_555 |
50 |
16 |
17870 |
299.4 |
-4.6 |
0.458 |
2 |
0 |
0 |
0.004 |
13 |
|
[GRZ]B:504 |
24 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
47 |
14 |
18173 |
297.8 |
-4.9 |
0.433 |
2 |
0 |
0 |
0.004 |
14 |
|
[GRZ]A:504 |
24 |
1 |
537 |
f |
A |
x,y,z |
1_555 |
49 |
14 |
17249 |
278.8 |
-5.9 |
0.342 |
2 |
0 |
0 |
0.004 |
| Average: |
294.4 |
-5.0 |
0.414 |
2 |
0 |
0 |
0.004 |
| 7 |
15 |
|
C |
23 |
8 |
17870 |
◊ |
A |
x,y-1,z |
1_545 |
26 |
10 |
17249 |
220.3 |
-0.1 |
0.654 |
1 |
2 |
0 |
0.000 |
16 |
|
D |
21 |
7 |
17462 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
7 |
18173 |
157.6 |
-1.0 |
0.496 |
1 |
2 |
0 |
0.000 |
| Average: |
189.0 |
-0.6 |
0.575 |
1 |
2 |
0 |
0.000 |
| 8 |
17 |
|
D |
18 |
5 |
17462 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
8 |
17249 |
142.1 |
-0.2 |
0.622 |
3 |
1 |
0 |
0.000 |
| 9 |
18 |
|
[GOL]C:510 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
17870 |
142.0 |
-0.1 |
0.596 |
8 |
0 |
0 |
0.003 |
19 |
|
[GOL]D:510 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
17462 |
135.5 |
-0.3 |
0.554 |
8 |
0 |
0 |
0.003 |
| Average: |
138.8 |
-0.2 |
0.575 |
8 |
0 |
0 |
0.003 |
| 10 |
20 |
|
[DMF]C:509 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
26 |
7 |
17870 |
141.2 |
3.9 |
0.511 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[DMF]A:508 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
17249 |
140.9 |
3.4 |
0.488 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[GOL]A:510 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
17249 |
140.3 |
-0.4 |
0.546 |
2 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[DMF]B:507 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
18173 |
139.3 |
3.5 |
0.485 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[DMF]C:505 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
17870 |
138.0 |
3.7 |
0.486 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[GOL]A:511 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
17249 |
138.0 |
-0.1 |
0.596 |
10 |
0 |
0 |
0.003 |
26 |
|
[GOL]B:511 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
18173 |
137.3 |
-0.3 |
0.596 |
8 |
0 |
0 |
0.003 |
| Average: |
137.6 |
-0.2 |
0.596 |
9 |
0 |
0 |
0.003 |
| 16 |
27 |
|
[DMF]D:505 |
5 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
17462 |
135.7 |
3.2 |
0.435 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[DMF]C:508 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
17870 |
130.2 |
3.4 |
0.482 |
2 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[DMF]A:506 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17249 |
126.5 |
2.7 |
0.388 |
1 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[DMF]C:506 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
17870 |
121.4 |
3.0 |
0.424 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
C |
16 |
8 |
17870 |
◊ |
[DMF]A:507 |
x,y-1,z |
1_545 |
5 |
1 |
216 |
120.2 |
3.4 |
0.478 |
1 |
0 |
0 |
0.000 |
32 |
|
[DMF]B:509 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
18173 |
120.2 |
3.4 |
0.484 |
1 |
0 |
0 |
0.000 |
| Average: |
120.2 |
3.4 |
0.481 |
1 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[DMF]D:507 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
17462 |
118.7 |
2.8 |
0.426 |
0 |
0 |
0 |
0.000 |
34 |
|
[DMF]A:509 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17249 |
117.3 |
2.9 |
0.449 |
0 |
0 |
0 |
0.000 |
| Average: |
118.0 |
2.9 |
0.437 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[DMF]B:505 |
5 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
18173 |
116.5 |
2.5 |
0.404 |
1 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[DMF]D:508 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
6 |
17462 |
115.8 |
1.3 |
0.307 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[DMF]D:506 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17462 |
115.4 |
3.2 |
0.453 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
17870 |
114.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
39 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17249 |
113.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
40 |
|
[K]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
17462 |
113.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
41 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
18173 |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
113.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.076 |
| 26 |
42 |
|
[DMF]B:508 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
18173 |
113.4 |
2.1 |
0.367 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[DMF]B:506 |
5 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
18173 |
112.8 |
2.7 |
0.436 |
1 |
0 |
0 |
0.000 |
| 28 |
44 |
|
[DMF]C:507 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17870 |
112.4 |
3.4 |
0.473 |
1 |
0 |
0 |
0.000 |
| 29 |
45 |
|
C |
14 |
4 |
17870 |
◊ |
[GRZ]D:504 |
x,y-1,z |
1_545 |
9 |
1 |
540 |
100.0 |
-4.4 |
0.481 |
0 |
0 |
0 |
0.000 |
46 |
|
[GRZ]A:504 |
10 |
1 |
537 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
18173 |
94.8 |
-5.0 |
0.421 |
0 |
0 |
0 |
0.000 |
47 |
|
[GRZ]B:504 |
10 |
1 |
538 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
17249 |
92.4 |
-5.0 |
0.434 |
0 |
0 |
0 |
0.000 |
48 |
|
[GRZ]C:504 |
10 |
1 |
540 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
17462 |
91.8 |
-5.2 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
94.8 |
-4.9 |
0.436 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[DMF]A:505 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
17249 |
93.5 |
1.7 |
0.353 |
1 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[DMF]D:509 |
5 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
17462 |
90.1 |
3.1 |
0.446 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[DMF]A:505 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
18173 |
85.8 |
0.9 |
0.226 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[DMF]B:510 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
17462 |
75.7 |
1.0 |
0.229 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
[DMF]B:510 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
18173 |
70.7 |
1.6 |
0.337 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
C |
9 |
3 |
17870 |
f |
[DMF]D:509 |
x,y-1,z |
1_545 |
5 |
1 |
215 |
66.5 |
1.5 |
0.308 |
1 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[DMF]C:508 |
3 |
1 |
218 |
f |
D |
x,y-1,z |
1_545 |
9 |
4 |
17462 |
53.0 |
0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
| 37 |
56 |
|
C |
9 |
5 |
17870 |
◊ |
B |
x-1,y-1,z |
1_445 |
10 |
6 |
18173 |
49.7 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[GOL]A:510 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
18173 |
46.7 |
-0.2 |
0.504 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
D |
6 |
2 |
17462 |
f |
[DMF]B:509 |
x-1,y,z |
1_455 |
5 |
1 |
216 |
43.7 |
0.1 |
0.135 |
0 |
0 |
0 |
0.000 |
59 |
|
[DMF]A:507 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17249 |
43.2 |
0.2 |
0.166 |
0 |
0 |
0 |
0.000 |
| Average: |
43.5 |
0.1 |
0.150 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
17462 |
37.2 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.018 |
61 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
17249 |
37.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.018 |
62 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
17870 |
36.9 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.018 |
63 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
18173 |
36.4 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
36.9 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| 41 |
64 |
|
[GRZ]B:504 |
4 |
1 |
538 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.010 |
65 |
|
[GRZ]C:504 |
4 |
1 |
540 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.010 |
66 |
|
[GRZ]D:504 |
5 |
1 |
540 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
|
[GRZ]A:504 |
4 |
1 |
537 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
30.2 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 42 |
68 |
|
[DMF]D:507 |
3 |
1 |
217 |
f |
[DMF]B:510 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.9 |
1.1 |
0.286 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
[GOL]D:510 |
2 |
1 |
218 |
f |
[DMF]D:508 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.9 |
0.4 |
0.387 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[GOL]B:511 |
2 |
1 |
220 |
◊ |
[DMF]B:508 |
x,y,z |
1_555 |
2 |
1 |
216 |
18.1 |
0.3 |
0.283 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
D |
1 |
1 |
17462 |
f |
[DMF]B:508 |
x,y,z-1 |
1_554 |
2 |
1 |
216 |
5.8 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
C |
1 |
1 |
17870 |
◊ |
[GOL]D:510 |
x,y-1,z |
1_545 |
1 |
1 |
218 |
1.3 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
|