| ## |
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 |
260 |
70 |
19401 |
◊ |
A |
x,y,z |
1_555 |
252 |
72 |
19252 |
2463.9 |
-22.9 |
0.051 |
10 |
19 |
0 |
0.168 |
2 |
|
D |
243 |
68 |
19521 |
◊ |
C |
x,y,z |
1_555 |
242 |
68 |
19279 |
2398.3 |
-22.7 |
0.044 |
9 |
23 |
0 |
0.168 |
| Average: |
2431.1 |
-22.8 |
0.047 |
10 |
21 |
0 |
0.168 |
| 2 |
3 |
|
C |
68 |
21 |
19279 |
◊ |
A |
x,y,z |
1_555 |
69 |
22 |
19252 |
647.9 |
-4.0 |
0.364 |
6 |
6 |
0 |
0.000 |
4 |
|
D |
66 |
21 |
19521 |
◊ |
B |
x,y-1,z+1 |
1_546 |
68 |
21 |
19401 |
619.8 |
-4.8 |
0.276 |
1 |
6 |
0 |
0.000 |
| Average: |
633.9 |
-4.4 |
0.320 |
4 |
6 |
0 |
0.000 |
| 3 |
5 |
|
B |
26 |
10 |
19401 |
◊ |
C |
x,y,z-1 |
1_554 |
32 |
11 |
19279 |
259.2 |
0.3 |
0.652 |
2 |
3 |
0 |
0.000 |
| 4 |
6 |
|
A |
17 |
6 |
19252 |
x |
A |
x-1,y,z |
1_455 |
23 |
9 |
19252 |
192.5 |
1.4 |
0.784 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[MPD]C:508 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
32 |
13 |
19279 |
155.6 |
-9.5 |
0.580 |
1 |
0 |
0 |
0.056 |
| 6 |
8 |
|
[MPD]A:508 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
19252 |
155.1 |
-9.7 |
0.617 |
0 |
0 |
0 |
0.050 |
| 7 |
9 |
|
[MPD]D:509 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
19521 |
153.9 |
-9.9 |
0.617 |
0 |
0 |
0 |
0.055 |
| 8 |
10 |
|
[MPD]A:507 |
7 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
33 |
14 |
19252 |
148.2 |
-9.1 |
0.607 |
1 |
0 |
0 |
0.098 |
11 |
|
[MPD]D:508 |
7 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
29 |
13 |
19521 |
147.3 |
-9.1 |
0.609 |
0 |
0 |
0 |
0.098 |
12 |
|
[MPD]B:510 |
7 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
19401 |
145.8 |
-9.2 |
0.598 |
0 |
0 |
0 |
0.098 |
| Average: |
147.1 |
-9.2 |
0.605 |
0 |
0 |
0 |
0.098 |
| 9 |
13 |
|
[MPD]C:507 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
19279 |
137.5 |
-8.8 |
0.534 |
0 |
0 |
0 |
0.049 |
| 10 |
14 |
|
A |
16 |
6 |
19252 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
4 |
19521 |
133.3 |
0.4 |
0.668 |
0 |
3 |
0 |
0.000 |
| 11 |
15 |
|
[MPD]B:508 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
19252 |
132.1 |
-8.1 |
0.493 |
0 |
0 |
0 |
0.042 |
| 12 |
16 |
|
[NAG]D:501 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
17 |
6 |
19521 |
132.0 |
3.6 |
0.354 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[MPD]C:509 |
7 |
1 |
273 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
19521 |
129.2 |
-8.1 |
0.508 |
0 |
0 |
0 |
0.045 |
| 14 |
18 |
|
[MPD]B:509 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
19401 |
128.0 |
-8.0 |
0.484 |
0 |
0 |
0 |
0.041 |
| 15 |
19 |
|
[NAG]C:501 |
11 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
16 |
6 |
19279 |
123.4 |
3.1 |
0.374 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:501 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
19252 |
115.6 |
2.8 |
0.340 |
0 |
0 |
0 |
0.000 |
| Average: |
119.5 |
2.9 |
0.357 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[NAG]B:501 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
19401 |
123.1 |
2.9 |
0.335 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[MPD]B:508 |
5 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
19401 |
114.6 |
-6.8 |
0.501 |
0 |
0 |
0 |
0.036 |
| 18 |
23 |
|
[MPD]B:509 |
6 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
19252 |
109.8 |
-6.6 |
0.520 |
0 |
0 |
0 |
0.034 |
| 19 |
24 |
|
[MPD]C:509 |
5 |
1 |
273 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19279 |
99.4 |
-6.2 |
0.432 |
0 |
0 |
0 |
0.034 |
| 20 |
25 |
|
[MPD]C:508 |
6 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
19521 |
97.1 |
-6.0 |
0.488 |
0 |
0 |
0 |
0.066 |
26 |
|
[MPD]D:508 |
7 |
1 |
272 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
19279 |
92.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
94.6 |
-5.9 |
0.244 |
0 |
0 |
0 |
0.066 |
| 21 |
27 |
|
[MPD]A:507 |
6 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
19401 |
95.9 |
-6.2 |
0.468 |
0 |
0 |
0 |
0.062 |
28 |
|
[MPD]B:510 |
6 |
1 |
272 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
19252 |
91.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
93.6 |
-6.0 |
0.234 |
0 |
0 |
0 |
0.062 |
| 22 |
29 |
|
C |
12 |
5 |
19279 |
◊ |
B |
x-1,y,z+1 |
1_456 |
12 |
4 |
19401 |
80.3 |
2.8 |
0.918 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[MPD]C:507 |
5 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
19521 |
77.3 |
-4.9 |
0.482 |
0 |
0 |
0 |
0.027 |
| 24 |
31 |
|
[NAG]D:502 |
8 |
1 |
363 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
19521 |
75.7 |
1.3 |
0.264 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[NAG]B:502 |
7 |
1 |
362 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
361 |
75.2 |
1.9 |
0.125 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:502 |
9 |
1 |
363 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
74.8 |
1.8 |
0.093 |
0 |
0 |
0 |
0.000 |
| Average: |
75.0 |
1.9 |
0.109 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[BMA]D:503 |
7 |
1 |
294 |
cf |
[NAG]D:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
63.8 |
1.3 |
0.111 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[CA]C:506 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
19279 |
53.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.099 |
36 |
|
[CA]B:507 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
19401 |
52.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.099 |
37 |
|
[CA]A:506 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19252 |
52.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
52.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.099 |
| 28 |
38 |
|
[MPD]A:508 |
3 |
1 |
275 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
5 |
1 |
362 |
49.1 |
-1.1 |
0.506 |
0 |
0 |
0 |
0.006 |
| 29 |
39 |
|
D |
3 |
1 |
19521 |
◊ |
B |
x-1,y,z+1 |
1_456 |
5 |
2 |
19401 |
48.6 |
0.5 |
0.697 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[CA]D:504 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
19521 |
47.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.136 |
41 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
19252 |
46.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.136 |
42 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
19401 |
46.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.136 |
43 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
19279 |
45.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
46.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.136 |
| 31 |
44 |
|
[BMA]D:503 |
6 |
1 |
294 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
3 |
19521 |
47.3 |
1.3 |
0.334 |
0 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[CA]D:507 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
19521 |
46.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.096 |
46 |
|
[CA]B:506 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19401 |
45.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.096 |
47 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19252 |
45.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.096 |
48 |
|
[CA]C:505 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
19279 |
43.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
45.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.096 |
| 33 |
49 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
19401 |
44.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.125 |
50 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
19252 |
43.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.125 |
51 |
|
[CA]D:505 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
19521 |
43.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.125 |
52 |
|
[CA]C:503 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
19279 |
43.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
43.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.125 |
| 34 |
53 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
19252 |
41.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.088 |
54 |
|
[CA]C:504 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19279 |
38.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.088 |
55 |
|
[CA]B:505 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19401 |
37.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.088 |
56 |
|
[CA]D:506 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19521 |
37.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
38.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.088 |
| 35 |
57 |
|
[NAG]D:502 |
4 |
1 |
363 |
◊ |
[NAG]B:502 |
x,y-1,z+1 |
1_546 |
4 |
1 |
362 |
37.0 |
2.1 |
0.304 |
0 |
0 |
0 |
0.000 |
| 36 |
58 |
|
[MPD]D:509 |
3 |
1 |
276 |
f |
[NAG]D:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
34.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 37 |
59 |
|
C |
3 |
2 |
19279 |
x |
C |
x-1,y,z |
1_455 |
4 |
2 |
19279 |
31.1 |
1.1 |
0.869 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
[BMA]D:503 |
2 |
1 |
294 |
◊ |
B |
x,y-1,z+1 |
1_546 |
4 |
2 |
19401 |
30.1 |
0.4 |
0.374 |
0 |
0 |
0 |
0.000 |
| 39 |
61 |
|
B |
8 |
3 |
19401 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
19401 |
28.8 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| 40 |
62 |
|
[NAG]D:501 |
4 |
1 |
362 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
19521 |
27.2 |
1.0 |
0.404 |
0 |
0 |
0 |
0.000 |
| 41 |
63 |
|
[NAG]D:502 |
3 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
19521 |
24.5 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
| 42 |
64 |
|
[NAG]B:502 |
3 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
19401 |
23.6 |
0.2 |
0.139 |
0 |
0 |
0 |
0.000 |
| 43 |
65 |
|
[NAG]B:502 |
3 |
1 |
362 |
◊ |
D |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
19521 |
18.5 |
0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 44 |
66 |
|
[BMA]D:503 |
2 |
1 |
294 |
◊ |
[NAG]B:502 |
x,y-1,z+1 |
1_546 |
1 |
1 |
362 |
18.0 |
0.8 |
0.456 |
0 |
0 |
0 |
0.000 |
| 45 |
67 |
|
[BMA]D:503 |
2 |
1 |
294 |
◊ |
[NAG]B:501 |
x,y-1,z+1 |
1_546 |
2 |
1 |
361 |
14.2 |
0.6 |
0.232 |
0 |
0 |
0 |
0.000 |
| 46 |
68 |
|
B |
1 |
1 |
19401 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
19521 |
6.3 |
0.1 |
0.784 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
A |
1 |
1 |
19252 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
19401 |
1.9 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
A |
1 |
1 |
19252 |
◊ |
[CA]D:507 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|