| ## |
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 |
|
F |
312 |
80 |
12783 |
◊ |
E |
x,y,z |
1_555 |
270 |
67 |
16230 |
2917.1 |
-37.3 |
0.041 |
43 |
5 |
1 |
1.000 |
2 |
|
B |
313 |
78 |
12764 |
◊ |
A |
x,y,z |
1_555 |
270 |
67 |
16811 |
2895.8 |
-34.7 |
0.065 |
40 |
4 |
1 |
1.000 |
3 |
|
D |
308 |
80 |
12631 |
◊ |
C |
x,y,z |
1_555 |
262 |
67 |
15986 |
2819.1 |
-38.0 |
0.037 |
41 |
5 |
1 |
1.000 |
| Average: |
2877.3 |
-36.7 |
0.048 |
41 |
5 |
1 |
1.000 |
| 2 |
4 |
|
F |
127 |
37 |
12783 |
◊ |
B |
x,y,z |
1_555 |
147 |
36 |
12764 |
1405.7 |
-10.3 |
0.410 |
19 |
24 |
0 |
1.000 |
5 |
|
F |
139 |
34 |
12783 |
◊ |
D |
x,y,z |
1_555 |
126 |
36 |
12631 |
1393.9 |
-10.9 |
0.372 |
18 |
25 |
0 |
1.000 |
6 |
|
D |
143 |
35 |
12631 |
◊ |
B |
x,y,z |
1_555 |
128 |
36 |
12764 |
1391.0 |
-10.8 |
0.399 |
20 |
25 |
0 |
1.000 |
| Average: |
1396.9 |
-10.7 |
0.394 |
19 |
25 |
0 |
1.000 |
| 3 |
7 |
|
E |
57 |
17 |
16230 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
16811 |
482.2 |
-0.8 |
0.688 |
7 |
0 |
0 |
0.716 |
8 |
|
E |
55 |
17 |
16230 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
15986 |
465.0 |
-1.3 |
0.642 |
9 |
0 |
0 |
0.716 |
9 |
|
C |
49 |
15 |
15986 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
16811 |
415.8 |
-1.3 |
0.623 |
8 |
0 |
0 |
0.716 |
| Average: |
454.4 |
-1.1 |
0.651 |
8 |
0 |
0 |
0.716 |
| 4 |
10 |
|
E |
42 |
16 |
16230 |
◊ |
E |
-x,y,-z |
2_555 |
42 |
16 |
16230 |
438.0 |
3.6 |
0.927 |
4 |
2 |
0 |
0.000 |
| 5 |
11 |
|
E |
41 |
12 |
16230 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
14 |
16811 |
387.4 |
-1.4 |
0.500 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
C |
40 |
13 |
15986 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
34 |
12 |
12631 |
342.5 |
-0.3 |
0.719 |
5 |
0 |
0 |
0.000 |
| 7 |
13 |
|
A |
35 |
11 |
16811 |
◊ |
A |
-x,y,-z+1 |
2_556 |
36 |
11 |
16811 |
331.0 |
2.8 |
0.891 |
4 |
8 |
0 |
0.000 |
| 8 |
14 |
|
F |
35 |
9 |
12783 |
◊ |
C |
x,y,z |
1_555 |
32 |
14 |
15986 |
302.2 |
-2.0 |
0.525 |
3 |
1 |
0 |
0.052 |
15 |
|
D |
31 |
9 |
12631 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
16811 |
290.5 |
-1.7 |
0.554 |
3 |
1 |
0 |
0.052 |
16 |
|
B |
32 |
9 |
12764 |
◊ |
E |
x,y,z |
1_555 |
31 |
13 |
16230 |
284.4 |
-2.9 |
0.406 |
2 |
2 |
0 |
0.052 |
| Average: |
292.3 |
-2.2 |
0.495 |
3 |
1 |
0 |
0.052 |
| 9 |
17 |
|
D |
35 |
13 |
12631 |
◊ |
E |
x,y,z |
1_555 |
28 |
7 |
16230 |
289.9 |
-0.1 |
0.715 |
2 |
1 |
0 |
0.022 |
18 |
|
B |
39 |
13 |
12764 |
◊ |
C |
x,y,z |
1_555 |
27 |
7 |
15986 |
279.7 |
-0.7 |
0.656 |
2 |
0 |
0 |
0.022 |
19 |
|
F |
37 |
13 |
12783 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
16811 |
268.4 |
-1.0 |
0.586 |
2 |
0 |
0 |
0.022 |
| Average: |
279.3 |
-0.6 |
0.652 |
2 |
0 |
0 |
0.022 |
| 10 |
20 |
|
C |
17 |
6 |
15986 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
18 |
7 |
16230 |
150.5 |
-1.4 |
0.385 |
1 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[NAG]A:402 |
11 |
1 |
367 |
cf |
A |
x,y,z |
1_555 |
17 |
6 |
16811 |
130.6 |
4.1 |
0.465 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[NAG]C:502 |
12 |
1 |
368 |
cf |
C |
x,y,z |
1_555 |
18 |
6 |
15986 |
130.0 |
3.9 |
0.379 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
F |
21 |
7 |
12783 |
◊ |
A |
-x,y,-z+1 |
2_556 |
10 |
2 |
16811 |
128.0 |
-0.4 |
0.637 |
0 |
0 |
0 |
0.018 |
| 14 |
24 |
|
[NAG]D:201 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
17 |
5 |
12631 |
124.9 |
2.9 |
0.349 |
2 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[NAG]E:506 |
10 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
16 |
8 |
16230 |
123.7 |
4.5 |
0.579 |
1 |
0 |
0 |
0.000 |
26 |
|
[NAG]C:506 |
10 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
15 |
8 |
15986 |
122.6 |
4.3 |
0.545 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:406 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
15 |
8 |
16811 |
121.7 |
4.3 |
0.543 |
2 |
0 |
0 |
0.000 |
| Average: |
122.7 |
4.3 |
0.556 |
1 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[NAG]A:403 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
16811 |
104.1 |
2.4 |
0.376 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]C:503 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
13 |
6 |
15986 |
102.4 |
3.0 |
0.371 |
0 |
0 |
0 |
0.000 |
| Average: |
103.3 |
2.7 |
0.373 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[NAG]F:201 |
11 |
1 |
366 |
cf |
F |
x,y,z |
1_555 |
13 |
4 |
12783 |
104.0 |
1.9 |
0.251 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[NAG]E:502 |
10 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
11 |
4 |
16230 |
98.1 |
2.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[NAG]C:501 |
8 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
13 |
6 |
15986 |
97.9 |
2.7 |
0.499 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[NAG]A:404 |
11 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
15986 |
94.4 |
0.7 |
0.155 |
1 |
0 |
0 |
0.000 |
34 |
|
[NAG]C:504 |
11 |
1 |
361 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
16230 |
85.7 |
0.8 |
0.169 |
1 |
0 |
0 |
0.000 |
35 |
|
[NAG]E:503 |
10 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
16811 |
84.9 |
0.7 |
0.174 |
1 |
0 |
0 |
0.000 |
| Average: |
88.4 |
0.7 |
0.166 |
1 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[NAG]E:501 |
10 |
1 |
367 |
cf |
E |
x,y,z |
1_555 |
12 |
5 |
16230 |
92.3 |
2.2 |
0.315 |
1 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[NAG]C:503 |
8 |
1 |
362 |
◊ |
E |
x,y,z |
1_555 |
11 |
7 |
16230 |
89.6 |
1.5 |
0.305 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:403 |
8 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
15986 |
76.2 |
0.9 |
0.229 |
1 |
0 |
0 |
0.000 |
| Average: |
82.9 |
1.2 |
0.267 |
1 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[NAG]A:401 |
9 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
16811 |
86.9 |
2.3 |
0.324 |
1 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[NAG]E:502 |
7 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
16811 |
85.7 |
1.3 |
0.331 |
1 |
0 |
0 |
0.000 |
| 25 |
41 |
|
B |
8 |
5 |
12764 |
◊ |
A |
-x,y,-z+1 |
2_556 |
10 |
3 |
16811 |
80.8 |
-0.6 |
0.495 |
0 |
0 |
0 |
0.032 |
| 26 |
42 |
|
[NAG]A:404 |
9 |
1 |
362 |
cf |
[NAG]A:403 |
x,y,z |
1_555 |
6 |
1 |
363 |
77.1 |
1.8 |
0.094 |
1 |
0 |
0 |
0.000 |
43 |
|
[NAG]C:507 |
9 |
1 |
364 |
cf |
[NAG]C:506 |
x,y,z |
1_555 |
6 |
1 |
364 |
74.8 |
1.5 |
0.092 |
1 |
0 |
0 |
0.000 |
44 |
|
[NAG]E:503 |
10 |
1 |
363 |
cf |
[NAG]E:502 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.0 |
1.4 |
0.069 |
0 |
0 |
0 |
0.000 |
| Average: |
74.0 |
1.6 |
0.085 |
1 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[NAG]C:504 |
8 |
1 |
361 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
6 |
1 |
362 |
74.1 |
1.9 |
0.117 |
1 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[NAG]A:407 |
9 |
1 |
366 |
cf |
[NAG]A:406 |
x,y,z |
1_555 |
5 |
1 |
363 |
72.4 |
1.9 |
0.128 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]E:507 |
9 |
1 |
366 |
cf |
[NAG]E:506 |
x,y,z |
1_555 |
6 |
1 |
363 |
71.1 |
1.7 |
0.096 |
0 |
0 |
0 |
0.000 |
| Average: |
71.7 |
1.8 |
0.112 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[BMA]E:504 |
8 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
10 |
1 |
16811 |
64.6 |
0.4 |
0.178 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[BMA]C:505 |
6 |
1 |
295 |
cf |
[NAG]C:504 |
x,y,z |
1_555 |
5 |
1 |
361 |
64.4 |
1.2 |
0.121 |
1 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[BMA]A:405 |
6 |
1 |
294 |
cf |
[NAG]A:404 |
x,y,z |
1_555 |
5 |
1 |
362 |
63.1 |
1.2 |
0.115 |
1 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[BMA]E:504 |
7 |
1 |
295 |
cf |
[NAG]E:503 |
x,y,z |
1_555 |
6 |
1 |
363 |
62.8 |
1.2 |
0.096 |
1 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[MAN]E:505 |
7 |
1 |
294 |
cf |
[BMA]E:504 |
x,y,z |
1_555 |
6 |
1 |
295 |
61.8 |
2.7 |
0.199 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
[BMA]A:405 |
8 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
15986 |
57.0 |
1.0 |
0.263 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
[NAG]E:503 |
4 |
1 |
363 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
16230 |
56.2 |
1.6 |
0.476 |
0 |
0 |
0 |
0.000 |
55 |
|
[NAG]C:504 |
3 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15986 |
52.8 |
1.7 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
54.5 |
1.7 |
0.534 |
0 |
0 |
0 |
0.000 |
| 36 |
56 |
|
[BMA]C:505 |
8 |
1 |
295 |
◊ |
E |
x,y,z |
1_555 |
10 |
1 |
16230 |
55.3 |
1.0 |
0.250 |
0 |
0 |
0 |
0.000 |
| 37 |
57 |
|
C |
3 |
2 |
15986 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
6 |
2 |
15986 |
52.3 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
[NAG]A:404 |
3 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
16811 |
50.1 |
1.6 |
0.585 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
[NAG]E:501 |
2 |
1 |
367 |
◊ |
F |
x,y,z |
1_555 |
3 |
3 |
12783 |
34.3 |
0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[NAG]E:507 |
3 |
1 |
366 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
12783 |
29.5 |
1.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
[NAG]A:407 |
2 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12764 |
28.9 |
1.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
[MAN]E:505 |
5 |
1 |
294 |
f |
[NAG]E:503 |
x,y,z |
1_555 |
3 |
1 |
363 |
28.7 |
0.8 |
0.177 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
[NAG]C:507 |
1 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12631 |
28.3 |
1.1 |
0.753 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
[MAN]E:505 |
4 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
16811 |
21.5 |
0.0 |
0.246 |
0 |
0 |
0 |
0.000 |
| 45 |
65 |
|
[NAG]C:506 |
1 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12631 |
16.1 |
0.7 |
0.779 |
0 |
0 |
0 |
0.000 |
66 |
|
[NAG]E:506 |
1 |
1 |
363 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12783 |
15.8 |
0.7 |
0.776 |
0 |
0 |
0 |
0.000 |
67 |
|
[NAG]A:406 |
1 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12764 |
13.1 |
0.6 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
15.0 |
0.7 |
0.777 |
0 |
0 |
0 |
0.000 |
| 46 |
68 |
|
[NAG]A:407 |
2 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16811 |
13.8 |
0.8 |
0.444 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
C |
2 |
2 |
15986 |
◊ |
[NAG]C:501 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
366 |
11.1 |
-0.0 |
0.276 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
[NAG]E:507 |
2 |
1 |
366 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
16230 |
10.9 |
0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
| 49 |
71 |
|
[NAG]C:507 |
2 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15986 |
10.7 |
0.7 |
0.473 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
C |
2 |
2 |
15986 |
◊ |
D |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
12631 |
8.8 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
| 51 |
73 |
|
C |
1 |
1 |
15986 |
x |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
15986 |
8.7 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 52 |
74 |
|
[NAG]F:201 |
2 |
1 |
366 |
◊ |
F |
-x,y,-z+1 |
2_556 |
2 |
2 |
12783 |
7.4 |
-0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
| 53 |
75 |
|
A |
1 |
1 |
16811 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
15986 |
1.3 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
|