| ## |
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 |
288 |
72 |
17266 |
◊ |
C |
x,y,z |
1_555 |
286 |
71 |
17478 |
2454.9 |
-21.0 |
0.566 |
31 |
3 |
0 |
0.150 |
2 |
|
B |
284 |
72 |
17659 |
◊ |
A |
x,y,z |
1_555 |
277 |
69 |
17275 |
2449.5 |
-18.3 |
0.558 |
29 |
2 |
0 |
0.150 |
| Average: |
2452.2 |
-19.7 |
0.562 |
30 |
3 |
0 |
0.150 |
| 2 |
3 |
|
C |
61 |
19 |
17478 |
◊ |
D |
x,y-1,z |
1_545 |
60 |
21 |
17266 |
557.6 |
-5.9 |
0.405 |
3 |
0 |
0 |
0.037 |
4 |
|
B |
58 |
23 |
17659 |
◊ |
A |
x-1,y,z |
1_455 |
55 |
18 |
17275 |
521.0 |
-3.8 |
0.516 |
2 |
0 |
0 |
0.037 |
| Average: |
539.3 |
-4.8 |
0.461 |
3 |
0 |
0 |
0.037 |
| 3 |
5 |
|
D |
47 |
19 |
17266 |
◊ |
A |
x,y,z |
1_555 |
45 |
18 |
17275 |
425.8 |
-4.2 |
0.267 |
2 |
0 |
0 |
0.015 |
6 |
|
C |
36 |
14 |
17478 |
◊ |
B |
x,y,z |
1_555 |
40 |
21 |
17659 |
298.8 |
-1.7 |
0.562 |
2 |
0 |
0 |
0.015 |
| Average: |
362.3 |
-3.0 |
0.414 |
2 |
0 |
0 |
0.015 |
| 4 |
7 |
|
D |
51 |
20 |
17266 |
◊ |
B |
x,y,z |
1_555 |
42 |
18 |
17659 |
388.4 |
-5.2 |
0.332 |
2 |
0 |
0 |
0.012 |
| 5 |
8 |
|
C |
33 |
12 |
17478 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
10 |
17275 |
287.2 |
-3.3 |
0.329 |
1 |
1 |
0 |
0.000 |
| 6 |
9 |
|
D |
23 |
8 |
17266 |
◊ |
A |
x-1,y,z-1 |
1_454 |
30 |
8 |
17275 |
243.2 |
-3.8 |
0.234 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
20 |
8 |
17275 |
x |
A |
x,y-1,z |
1_545 |
27 |
9 |
17275 |
215.4 |
-1.0 |
0.228 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
25 |
8 |
17478 |
x |
C |
x-1,y,z |
1_455 |
18 |
7 |
17478 |
184.7 |
-1.4 |
0.396 |
0 |
0 |
0 |
0.000 |
| Average: |
200.1 |
-1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
A |
19 |
9 |
17275 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
8 |
17659 |
181.9 |
-0.4 |
0.625 |
2 |
2 |
0 |
0.000 |
13 |
|
D |
16 |
6 |
17266 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
7 |
17478 |
123.7 |
-0.6 |
0.634 |
0 |
1 |
0 |
0.000 |
| Average: |
152.8 |
-0.5 |
0.630 |
1 |
2 |
0 |
0.000 |
| 9 |
14 |
|
D |
14 |
5 |
17266 |
x |
D |
x-1,y,z |
1_455 |
15 |
6 |
17266 |
155.3 |
-1.1 |
0.449 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
13 |
6 |
17659 |
x |
B |
x,y-1,z |
1_545 |
13 |
5 |
17659 |
109.3 |
-1.0 |
0.501 |
1 |
1 |
0 |
0.000 |
| Average: |
132.3 |
-1.1 |
0.475 |
1 |
1 |
0 |
0.000 |
| 10 |
16 |
|
C |
16 |
6 |
17478 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
4 |
17275 |
153.4 |
-1.8 |
0.378 |
1 |
0 |
0 |
0.000 |
17 |
|
C |
12 |
3 |
17478 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
6 |
17275 |
127.3 |
-1.0 |
0.438 |
1 |
0 |
0 |
0.000 |
| Average: |
140.3 |
-1.4 |
0.408 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
C |
14 |
4 |
17478 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
17275 |
133.8 |
0.7 |
0.801 |
2 |
0 |
0 |
0.000 |
| 12 |
19 |
|
C |
13 |
5 |
17478 |
◊ |
A |
x-1,y-1,z |
1_445 |
16 |
5 |
17275 |
105.7 |
-0.7 |
0.585 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
C |
9 |
5 |
17478 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
4 |
17659 |
89.2 |
-0.2 |
0.361 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
C |
8 |
3 |
17478 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
10 |
3 |
17659 |
85.8 |
-0.9 |
0.342 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[BR]D:344 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17266 |
82.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.055 |
23 |
|
[BR]B:345 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17659 |
80.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
81.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 16 |
24 |
|
[BR]D:339 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
17266 |
79.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.128 |
25 |
|
[BR]C:339 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17478 |
75.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.128 |
26 |
|
[BR]A:338 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17275 |
75.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.128 |
27 |
|
[BR]B:339 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17659 |
74.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
76.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.128 |
| 17 |
28 |
|
[BR]C:343 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
17478 |
76.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.056 |
| 18 |
29 |
|
[BR]B:344 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17659 |
72.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.092 |
30 |
|
[BR]A:343 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17275 |
71.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
72.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.092 |
| 19 |
31 |
|
[BR]C:340 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
17478 |
71.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.097 |
32 |
|
[BR]D:341 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17266 |
64.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.097 |
33 |
|
[BR]A:339 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17275 |
63.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.097 |
34 |
|
[BR]B:341 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17659 |
63.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
65.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.097 |
| 20 |
35 |
|
[BR]D:336 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
17266 |
69.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.113 |
36 |
|
[BR]A:335 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17275 |
68.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.113 |
37 |
|
[BR]C:335 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17478 |
68.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.113 |
38 |
|
[BR]B:337 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
17659 |
67.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
68.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| 21 |
39 |
|
[BR]A:342 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17275 |
69.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| 22 |
40 |
|
[BR]D:343 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
17266 |
68.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.095 |
41 |
|
[BR]B:343 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17659 |
67.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.095 |
42 |
|
[BR]A:341 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17275 |
64.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.095 |
43 |
|
[BR]C:342 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17478 |
63.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
65.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.095 |
| 23 |
44 |
|
[BR]A:337 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17275 |
64.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.087 |
45 |
|
[BR]D:337 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17266 |
62.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.087 |
46 |
|
[BR]C:337 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17478 |
59.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.087 |
| Average: |
61.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.087 |
| 24 |
47 |
|
[BR]B:340 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17659 |
62.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.077 |
48 |
|
[BR]D:335 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
17478 |
60.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.077 |
49 |
|
[BR]D:340 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17266 |
60.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.077 |
50 |
|
[BR]B:336 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17275 |
59.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
60.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.077 |
| 25 |
51 |
|
[BR]B:342 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17659 |
61.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.090 |
52 |
|
[BR]D:342 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
17266 |
60.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.090 |
53 |
|
[BR]A:340 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17275 |
60.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.090 |
54 |
|
[BR]C:341 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17478 |
60.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
60.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| 26 |
55 |
|
C |
10 |
5 |
17478 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
2 |
17659 |
58.5 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
5 |
2 |
17266 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
17275 |
47.7 |
-0.8 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
53.1 |
-0.8 |
0.442 |
0 |
0 |
0 |
0.000 |
| 27 |
57 |
|
B |
10 |
5 |
17659 |
f |
[BR]A:336 |
x-1,y,z |
1_455 |
1 |
1 |
133 |
57.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.036 |
58 |
|
[BR]C:336 |
1 |
1 |
133 |
f |
D |
x,y-1,z |
1_545 |
11 |
5 |
17266 |
55.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
56.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 28 |
59 |
|
[BR]B:346 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17659 |
56.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 29 |
60 |
|
[BR]C:336 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
17478 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.036 |
61 |
|
[BR]A:336 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
17275 |
50.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
51.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 30 |
62 |
|
[BR]B:335 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17275 |
49.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.065 |
63 |
|
[BR]C:338 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17478 |
49.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.065 |
64 |
|
[BR]B:338 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17659 |
49.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.065 |
65 |
|
[BR]D:338 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
17266 |
47.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
49.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.065 |
| 31 |
66 |
|
[BR]C:337 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
17266 |
47.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.039 |
67 |
|
[BR]A:337 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17659 |
38.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.039 |
68 |
|
[BR]D:337 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
17478 |
38.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
41.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| 32 |
69 |
|
[BR]B:338 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17275 |
35.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.027 |
70 |
|
[BR]D:338 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17478 |
35.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.027 |
71 |
|
[BR]B:335 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
17659 |
34.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.027 |
72 |
|
[BR]C:338 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17266 |
33.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
34.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 33 |
73 |
|
[BR]D:335 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17266 |
35.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.031 |
74 |
|
[BR]B:336 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
17659 |
34.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.031 |
75 |
|
[BR]D:340 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17478 |
29.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.031 |
76 |
|
[BR]B:340 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17275 |
28.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
32.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| 34 |
77 |
|
[BR]B:341 |
1 |
1 |
133 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
17275 |
35.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.018 |
78 |
|
C |
2 |
1 |
17478 |
◊ |
[BR]D:341 |
x,y-1,z |
1_545 |
1 |
1 |
133 |
31.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
33.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 35 |
79 |
|
[BR]B:337 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17266 |
26.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.009 |
80 |
|
[BR]D:336 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17659 |
18.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
22.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 36 |
81 |
|
C |
3 |
2 |
17478 |
◊ |
B |
x,y-1,z-1 |
1_544 |
4 |
2 |
17659 |
24.2 |
-1.2 |
0.147 |
0 |
0 |
0 |
0.000 |
| 37 |
82 |
|
[BR]B:344 |
1 |
1 |
133 |
f |
[BR]B:339 |
x,y,z |
1_555 |
1 |
1 |
133 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 38 |
83 |
|
[BR]A:343 |
1 |
1 |
133 |
f |
[BR]A:338 |
x,y,z |
1_555 |
1 |
1 |
133 |
20.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 39 |
84 |
|
[BR]D:344 |
1 |
1 |
133 |
f |
[BR]D:342 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 40 |
85 |
|
[BR]B:345 |
1 |
1 |
133 |
f |
[BR]B:342 |
x,y,z |
1_555 |
1 |
1 |
133 |
5.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 41 |
86 |
|
D |
2 |
1 |
17266 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
17659 |
4.4 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
| 42 |
87 |
|
[BR]D:340 |
1 |
1 |
133 |
f |
[BR]D:338 |
x,y,z |
1_555 |
1 |
1 |
133 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| 43 |
88 |
|
D |
1 |
1 |
17266 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
17659 |
1.8 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 44 |
89 |
|
D |
1 |
1 |
17266 |
◊ |
[BR]A:340 |
x-1,y,z-1 |
1_454 |
1 |
1 |
133 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|