| ## |
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 |
75 |
25 |
15734 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
15784 |
785.1 |
-2.5 |
0.357 |
12 |
11 |
0 |
0.000 |
2 |
|
C |
76 |
25 |
15819 |
◊ |
A |
x,y,z |
1_555 |
76 |
24 |
15793 |
784.9 |
-2.3 |
0.358 |
13 |
11 |
0 |
0.000 |
| Average: |
785.0 |
-2.4 |
0.358 |
13 |
11 |
0 |
0.000 |
| 2 |
3 |
|
D |
48 |
12 |
15734 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
16 |
15784 |
446.4 |
4.6 |
0.847 |
8 |
9 |
0 |
0.000 |
4 |
|
A |
55 |
16 |
15793 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
10 |
15819 |
442.6 |
3.6 |
0.782 |
6 |
7 |
0 |
0.000 |
| Average: |
444.5 |
4.1 |
0.814 |
7 |
8 |
0 |
0.000 |
| 3 |
5 |
|
B |
44 |
10 |
15784 |
◊ |
A |
x,y,z-1 |
1_554 |
44 |
12 |
15793 |
378.1 |
-0.6 |
0.426 |
4 |
7 |
0 |
0.000 |
6 |
|
B |
44 |
11 |
15784 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
15793 |
365.1 |
-1.0 |
0.352 |
4 |
6 |
0 |
0.000 |
| Average: |
371.6 |
-0.8 |
0.389 |
4 |
7 |
0 |
0.000 |
| 4 |
7 |
|
C |
37 |
12 |
15819 |
◊ |
A |
x,y-1,z |
1_545 |
39 |
15 |
15793 |
352.2 |
3.2 |
0.793 |
8 |
2 |
0 |
0.000 |
8 |
|
B |
39 |
14 |
15784 |
◊ |
D |
x,y-1,z |
1_545 |
36 |
12 |
15734 |
346.8 |
3.2 |
0.794 |
8 |
2 |
0 |
0.000 |
| Average: |
349.5 |
3.2 |
0.794 |
8 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
27 |
10 |
15784 |
◊ |
D |
x-1,y-1,z |
1_445 |
28 |
9 |
15734 |
228.1 |
1.7 |
0.706 |
2 |
2 |
0 |
0.000 |
10 |
|
C |
27 |
9 |
15819 |
◊ |
A |
x-1,y-1,z |
1_445 |
27 |
9 |
15793 |
225.1 |
1.9 |
0.720 |
3 |
2 |
0 |
0.000 |
| Average: |
226.6 |
1.8 |
0.713 |
3 |
2 |
0 |
0.000 |
| 6 |
11 |
|
[NAG]A:506 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
23 |
9 |
15793 |
160.6 |
3.8 |
0.354 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:506 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
24 |
8 |
15784 |
156.8 |
3.8 |
0.369 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]D:505 |
12 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
25 |
8 |
15734 |
153.9 |
3.8 |
0.378 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:506 |
12 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
23 |
8 |
15819 |
153.1 |
3.8 |
0.366 |
0 |
0 |
0 |
0.000 |
| Average: |
156.1 |
3.8 |
0.367 |
0 |
0 |
0 |
0.000 |
| 7 |
15 |
|
[FUL]C:505 |
8 |
1 |
279 |
cf |
C |
x,y,z |
1_555 |
25 |
8 |
15819 |
138.5 |
3.1 |
0.428 |
2 |
0 |
0 |
0.000 |
16 |
|
[FUL]A:505 |
8 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
15793 |
132.9 |
2.8 |
0.396 |
3 |
0 |
0 |
0.000 |
17 |
|
[FUL]B:505 |
8 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
15784 |
130.4 |
2.9 |
0.428 |
3 |
0 |
0 |
0.000 |
18 |
|
[FUL]D:504 |
9 |
1 |
282 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
15734 |
129.2 |
1.7 |
0.253 |
1 |
0 |
0 |
0.000 |
| Average: |
132.8 |
2.6 |
0.376 |
2 |
0 |
0 |
0.000 |
| 8 |
19 |
|
[NAG]C:503 |
11 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
18 |
6 |
15819 |
129.9 |
4.0 |
0.448 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:503 |
12 |
1 |
350 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
15793 |
129.1 |
3.9 |
0.408 |
0 |
0 |
0 |
0.000 |
| Average: |
129.5 |
4.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[NAG]B:503 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
19 |
5 |
15784 |
129.5 |
3.8 |
0.372 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[NAG]D:502 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
19 |
5 |
15734 |
128.9 |
4.1 |
0.410 |
1 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[NAG]B:502 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
17 |
5 |
15784 |
127.3 |
2.6 |
0.325 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:502 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
15793 |
127.1 |
2.5 |
0.321 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]C:502 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
17 |
5 |
15819 |
126.4 |
2.6 |
0.319 |
0 |
0 |
0 |
0.000 |
| Average: |
126.9 |
2.6 |
0.322 |
0 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[NAG]D:501 |
10 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
17 |
5 |
15734 |
126.4 |
2.6 |
0.323 |
0 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[EDO]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
15793 |
109.1 |
3.4 |
0.445 |
4 |
0 |
0 |
0.000 |
28 |
|
[EDO]D:509 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
15734 |
105.4 |
2.9 |
0.391 |
4 |
0 |
0 |
0.000 |
| Average: |
107.3 |
3.1 |
0.418 |
4 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[EDO]C:510 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
15819 |
107.9 |
2.9 |
0.378 |
4 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:510 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15784 |
104.3 |
2.9 |
0.389 |
4 |
0 |
0 |
0.000 |
| Average: |
106.1 |
2.9 |
0.384 |
4 |
0 |
0 |
0.000 |
| 15 |
31 |
|
[EDO]C:511 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
15819 |
103.7 |
2.7 |
0.401 |
1 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15793 |
92.2 |
2.1 |
0.336 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[NAG]B:501 |
7 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
15784 |
91.6 |
3.0 |
0.534 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]A:501 |
7 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
15793 |
89.0 |
3.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| Average: |
90.3 |
3.0 |
0.528 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[NAG]C:501 |
8 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
15819 |
81.2 |
2.3 |
0.359 |
0 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[NAG]A:504 |
10 |
1 |
365 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
6 |
1 |
350 |
78.4 |
1.9 |
0.102 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]C:504 |
8 |
1 |
364 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
6 |
1 |
352 |
77.4 |
1.7 |
0.114 |
0 |
0 |
0 |
0.000 |
| Average: |
77.9 |
1.8 |
0.108 |
1 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[NAG]B:504 |
10 |
1 |
364 |
cf |
[NAG]B:503 |
x,y,z |
1_555 |
6 |
1 |
360 |
75.9 |
1.8 |
0.098 |
1 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[NAG]D:506 |
9 |
1 |
366 |
cf |
[NAG]D:505 |
x,y,z |
1_555 |
7 |
1 |
361 |
70.7 |
1.5 |
0.084 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]C:507 |
9 |
1 |
364 |
cf |
[NAG]C:506 |
x,y,z |
1_555 |
7 |
1 |
360 |
70.0 |
1.5 |
0.079 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[NAG]A:507 |
10 |
1 |
365 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.6 |
1.2 |
0.047 |
1 |
0 |
0 |
0.000 |
42 |
|
[NAG]B:507 |
9 |
1 |
362 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.2 |
1.6 |
0.083 |
0 |
0 |
0 |
0.000 |
| Average: |
68.4 |
1.4 |
0.065 |
1 |
0 |
0 |
0.000 |
| 23 |
43 |
|
[NAG]D:503 |
9 |
1 |
360 |
cf |
[NAG]D:502 |
x,y,z |
1_555 |
7 |
1 |
362 |
67.9 |
1.1 |
0.067 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[FUL]C:505 |
6 |
1 |
279 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
7 |
1 |
352 |
63.1 |
2.1 |
0.142 |
0 |
0 |
0 |
0.000 |
45 |
|
[FUL]B:505 |
7 |
1 |
281 |
cf |
[NAG]B:503 |
x,y,z |
1_555 |
7 |
1 |
360 |
62.6 |
2.0 |
0.130 |
0 |
0 |
0 |
0.000 |
| Average: |
62.9 |
2.1 |
0.136 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[FUL]A:505 |
7 |
1 |
280 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
7 |
1 |
350 |
63.0 |
2.2 |
0.129 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[FUL]D:504 |
6 |
1 |
282 |
cf |
[NAG]D:502 |
x,y,z |
1_555 |
6 |
1 |
362 |
62.0 |
1.9 |
0.130 |
0 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[NAG]A:507 |
5 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15793 |
53.8 |
1.8 |
0.495 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAG]B:507 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15784 |
53.2 |
1.8 |
0.542 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[FUL]B:505 |
4 |
1 |
281 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
6 |
1 |
364 |
50.0 |
2.6 |
0.284 |
1 |
0 |
0 |
0.000 |
51 |
|
[FUL]A:505 |
4 |
1 |
280 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
6 |
1 |
365 |
47.5 |
2.5 |
0.282 |
1 |
0 |
0 |
0.000 |
| Average: |
48.8 |
2.5 |
0.283 |
1 |
0 |
0 |
0.000 |
| 29 |
52 |
|
[ZN]B:508 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15784 |
49.1 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.241 |
53 |
|
[ZN]C:508 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
15819 |
48.7 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.241 |
54 |
|
[ZN]D:507 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
15734 |
48.6 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.241 |
55 |
|
[ZN]A:508 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15793 |
46.4 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.241 |
| Average: |
48.2 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.241 |
| 30 |
56 |
|
[NAG]D:506 |
5 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
15734 |
47.4 |
1.6 |
0.499 |
0 |
0 |
0 |
0.000 |
57 |
|
[NAG]C:507 |
5 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15819 |
44.9 |
1.4 |
0.431 |
0 |
0 |
0 |
0.000 |
| Average: |
46.2 |
1.5 |
0.465 |
0 |
0 |
0 |
0.000 |
| 31 |
58 |
|
[FUL]C:505 |
3 |
1 |
279 |
f |
[NAG]C:504 |
x,y,z |
1_555 |
7 |
1 |
364 |
45.7 |
2.5 |
0.289 |
1 |
0 |
0 |
0.000 |
| 32 |
59 |
|
[FUL]D:504 |
3 |
1 |
282 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
7 |
1 |
360 |
39.4 |
2.3 |
0.281 |
0 |
0 |
0 |
0.000 |
| 33 |
60 |
|
[NAG]B:504 |
2 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
15784 |
34.7 |
1.1 |
0.556 |
0 |
0 |
0 |
0.000 |
61 |
|
[NAG]A:504 |
2 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15793 |
32.4 |
1.0 |
0.578 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]C:504 |
2 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15819 |
26.0 |
0.8 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
31.0 |
1.0 |
0.563 |
0 |
0 |
0 |
0.000 |
| 34 |
63 |
|
[EDO]A:510 |
2 |
1 |
184 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
1 |
1 |
360 |
19.3 |
1.0 |
0.886 |
0 |
0 |
0 |
0.000 |
| 35 |
64 |
|
[EDO]B:510 |
2 |
1 |
185 |
f |
[NAG]B:506 |
x,y,z |
1_555 |
1 |
1 |
360 |
17.1 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
| 36 |
65 |
|
[EDO]C:510 |
2 |
1 |
186 |
f |
[NAG]C:506 |
x,y,z |
1_555 |
1 |
1 |
360 |
16.0 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
| 37 |
66 |
|
[EDO]D:509 |
2 |
1 |
185 |
f |
[NAG]D:505 |
x,y,z |
1_555 |
1 |
1 |
361 |
16.0 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
| 38 |
67 |
|
[NAG]D:503 |
4 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
15734 |
14.6 |
0.3 |
0.334 |
0 |
0 |
0 |
0.000 |
| 39 |
68 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
[ZN]D:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| 40 |
69 |
|
[ZN]C:509 |
1 |
1 |
98 |
f |
[ZN]C:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| 41 |
70 |
|
[ZN]B:509 |
1 |
1 |
98 |
f |
[ZN]B:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.049 |
| 42 |
71 |
|
[ZN]A:509 |
1 |
1 |
98 |
f |
[ZN]A:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.051 |
| 43 |
72 |
|
[EDO]A:511 |
1 |
1 |
185 |
f |
[ZN]A:508 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 44 |
73 |
|
D |
1 |
1 |
15734 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
15734 |
2.2 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
|