| ## |
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 |
|
C |
85 |
24 |
9301 |
◊ |
D |
x-1,y-1,z |
1_445 |
85 |
25 |
9257 |
816.8 |
-10.0 |
0.234 |
0 |
3 |
0 |
0.096 |
2 |
|
B |
83 |
25 |
9314 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
9280 |
809.1 |
-10.2 |
0.218 |
0 |
2 |
0 |
0.096 |
| Average: |
812.9 |
-10.1 |
0.226 |
0 |
3 |
0 |
0.096 |
| 2 |
3 |
|
C |
38 |
13 |
9301 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
9314 |
410.0 |
-4.5 |
0.298 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
38 |
12 |
9280 |
◊ |
D |
x-1,y,z |
1_455 |
42 |
13 |
9257 |
397.1 |
-4.5 |
0.287 |
0 |
0 |
0 |
0.000 |
| Average: |
403.6 |
-4.5 |
0.293 |
1 |
0 |
0 |
0.000 |
| 3 |
5 |
|
A |
28 |
10 |
9280 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
12 |
9314 |
289.3 |
-3.0 |
0.369 |
0 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
17 |
7 |
9280 |
x |
A |
x-1,y,z |
1_455 |
13 |
8 |
9280 |
153.7 |
0.1 |
0.718 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
14 |
7 |
9314 |
x |
B |
x-1,y,z |
1_455 |
16 |
6 |
9314 |
153.0 |
-1.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
17 |
6 |
9314 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
16 |
4 |
9257 |
145.1 |
-3.1 |
0.176 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
10 |
5 |
9301 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
6 |
9280 |
131.1 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
14 |
6 |
9301 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9280 |
127.9 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
129.5 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]C:301 |
11 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
17 |
7 |
9301 |
127.0 |
3.0 |
0.393 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]A:301 |
11 |
1 |
349 |
cf |
A |
x,y,z |
1_555 |
17 |
6 |
9280 |
123.5 |
2.8 |
0.383 |
1 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:301 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
9314 |
121.1 |
2.6 |
0.317 |
1 |
0 |
0 |
0.000 |
| Average: |
122.3 |
2.7 |
0.350 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[MAN]A:307 |
8 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
9280 |
123.2 |
1.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]D:301 |
11 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
17 |
6 |
9257 |
122.5 |
2.4 |
0.341 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
C |
12 |
5 |
9301 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
9314 |
96.2 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[MAN]C:304 |
7 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
9301 |
83.7 |
1.4 |
0.344 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[MAN]A:304 |
6 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9280 |
83.1 |
-0.2 |
0.185 |
1 |
0 |
0 |
0.006 |
| 15 |
19 |
|
D |
11 |
6 |
9257 |
◊ |
A |
x,y,z |
1_555 |
12 |
8 |
9280 |
72.8 |
-0.5 |
0.597 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[NAG]B:302 |
9 |
1 |
362 |
cf |
[NAG]B:301 |
x,y,z |
1_555 |
6 |
1 |
362 |
72.3 |
1.9 |
0.101 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[NAG]A:302 |
10 |
1 |
362 |
cf |
[NAG]A:301 |
x,y,z |
1_555 |
5 |
1 |
349 |
69.0 |
1.5 |
0.081 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[MAN]A:305 |
7 |
1 |
293 |
cf |
[MAN]A:304 |
x,y,z |
1_555 |
7 |
1 |
288 |
68.0 |
2.5 |
0.175 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[NAG]C:302 |
9 |
1 |
364 |
cf |
[NAG]C:301 |
x,y,z |
1_555 |
6 |
1 |
359 |
67.4 |
1.2 |
0.086 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[MAN]C:303 |
5 |
1 |
291 |
cf |
[NAG]C:302 |
x,y,z |
1_555 |
6 |
1 |
364 |
65.8 |
1.1 |
0.162 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[CU]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9280 |
61.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.353 |
26 |
|
[CU]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9301 |
61.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.353 |
27 |
|
[CU]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
9257 |
52.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.353 |
28 |
|
[CU]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9314 |
52.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.353 |
| Average: |
57.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.353 |
| 22 |
29 |
|
C |
9 |
5 |
9301 |
◊ |
[NAG]A:302 |
x,y-1,z |
1_545 |
7 |
1 |
362 |
60.7 |
0.5 |
0.231 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[MAN]A:307 |
6 |
1 |
292 |
cf |
[MAN]A:306 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.9 |
2.5 |
0.224 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[MAN]C:304 |
5 |
1 |
287 |
cf |
[MAN]C:303 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.4 |
2.4 |
0.244 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[MAN]A:303 |
5 |
1 |
289 |
cf |
[NAG]A:302 |
x,y,z |
1_555 |
5 |
1 |
362 |
57.4 |
1.1 |
0.153 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
B |
6 |
3 |
9314 |
◊ |
D |
x,y-1,z-1 |
1_544 |
5 |
2 |
9257 |
56.2 |
-1.4 |
0.219 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[MAN]A:304 |
7 |
1 |
288 |
cf |
[MAN]A:303 |
x,y,z |
1_555 |
5 |
1 |
289 |
55.0 |
2.5 |
0.246 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[NAG]B:302 |
3 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9314 |
54.5 |
2.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
C |
5 |
3 |
9301 |
◊ |
[NAG]A:301 |
x,y-1,z |
1_545 |
6 |
1 |
349 |
54.2 |
1.4 |
0.401 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[MAN]A:306 |
5 |
1 |
291 |
cf |
[MAN]A:303 |
x,y,z |
1_555 |
3 |
1 |
289 |
49.5 |
2.6 |
0.437 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[NAG]C:302 |
8 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9280 |
47.2 |
0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
D |
6 |
3 |
9257 |
x |
D |
x-1,y,z |
1_455 |
8 |
5 |
9257 |
44.8 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[OXY]D:303 |
2 |
1 |
120 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9257 |
42.8 |
0.7 |
0.871 |
1 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[OXY]B:309 |
2 |
1 |
119 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9314 |
42.7 |
0.8 |
0.877 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
C |
7 |
5 |
9301 |
x |
C |
x-1,y,z |
1_455 |
7 |
3 |
9301 |
42.6 |
0.4 |
0.769 |
1 |
0 |
0 |
0.000 |
| 36 |
43 |
|
C |
9 |
3 |
9301 |
◊ |
[OXY]D:303 |
x-1,y-1,z |
1_445 |
2 |
1 |
120 |
42.4 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[MAN]A:303 |
4 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9280 |
42.4 |
0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
45 |
|
[MAN]C:303 |
4 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9301 |
40.0 |
0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
41.2 |
0.5 |
0.410 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[OXY]B:309 |
2 |
1 |
119 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
9280 |
42.2 |
0.5 |
0.819 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[NAG]C:301 |
5 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9280 |
40.8 |
0.5 |
0.289 |
1 |
0 |
0 |
0.000 |
| 40 |
48 |
|
B |
4 |
2 |
9314 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
9301 |
36.1 |
0.5 |
0.789 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[MAN]C:303 |
4 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9280 |
34.3 |
-0.3 |
0.183 |
0 |
0 |
0 |
0.000 |
| 42 |
50 |
|
[MAN]A:307 |
4 |
1 |
292 |
f |
[MAN]A:303 |
x,y,z |
1_555 |
5 |
1 |
289 |
32.1 |
1.2 |
0.212 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
C |
2 |
1 |
9301 |
◊ |
[MAN]A:303 |
x,y-1,z |
1_545 |
4 |
1 |
289 |
30.6 |
-0.2 |
0.165 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[MAN]A:305 |
5 |
1 |
293 |
f |
[MAN]A:303 |
x,y,z |
1_555 |
3 |
1 |
289 |
28.3 |
0.7 |
0.186 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
C |
1 |
1 |
9301 |
◊ |
[MAN]A:305 |
x,y-1,z |
1_545 |
4 |
1 |
293 |
22.2 |
0.9 |
0.467 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
C |
2 |
1 |
9301 |
◊ |
[MAN]A:306 |
x,y-1,z |
1_545 |
2 |
1 |
291 |
21.4 |
0.6 |
0.431 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[MAN]A:306 |
2 |
1 |
291 |
f |
[NAG]A:302 |
x,y,z |
1_555 |
1 |
1 |
362 |
18.0 |
0.8 |
0.287 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
[OXY]B:309 |
1 |
1 |
119 |
f |
[CU]B:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
57 |
|
[OXY]D:303 |
1 |
1 |
120 |
f |
[CU]D:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
17.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| 49 |
58 |
|
[MAN]A:305 |
3 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
9280 |
14.8 |
0.4 |
0.387 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[MAN]A:306 |
3 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9280 |
13.5 |
0.0 |
0.286 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[CU]C:305 |
1 |
1 |
125 |
◊ |
D |
x-1,y-1,z |
1_445 |
2 |
1 |
9257 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.018 |
61 |
|
[CU]B:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9280 |
12.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.018 |
62 |
|
C |
1 |
1 |
9301 |
◊ |
[CU]D:302 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
11.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.018 |
63 |
|
[CU]A:308 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9314 |
10.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
11.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| 52 |
64 |
|
[NAG]A:302 |
3 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
9280 |
11.1 |
-0.2 |
0.272 |
0 |
0 |
0 |
0.002 |
| 53 |
65 |
|
[NAG]C:302 |
3 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
9301 |
9.4 |
-0.2 |
0.295 |
0 |
0 |
0 |
0.007 |
| 54 |
66 |
|
[MAN]A:304 |
2 |
1 |
288 |
f |
[NAG]A:302 |
x,y,z |
1_555 |
1 |
1 |
362 |
3.8 |
0.0 |
0.194 |
0 |
0 |
0 |
0.000 |
| 55 |
67 |
|
[MAN]C:304 |
1 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9280 |
2.8 |
0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
| 56 |
68 |
|
[MAN]C:304 |
1 |
1 |
287 |
f |
[NAG]C:302 |
x,y,z |
1_555 |
1 |
1 |
364 |
1.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 57 |
69 |
|
C |
1 |
1 |
9301 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9257 |
1.8 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
| 58 |
70 |
|
[MAN]A:307 |
1 |
1 |
292 |
f |
[NAG]A:302 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.2 |
-0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|