| ## |
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 |
43 |
17 |
18558 |
◊ |
B |
x,y,z-1 |
1_554 |
43 |
17 |
18577 |
422.8 |
-1.7 |
0.568 |
8 |
2 |
0 |
0.000 |
2 |
|
C |
43 |
17 |
18601 |
◊ |
A |
x,y,z |
1_555 |
43 |
17 |
18524 |
422.3 |
-1.6 |
0.566 |
8 |
2 |
0 |
0.000 |
| Average: |
422.5 |
-1.7 |
0.567 |
8 |
2 |
0 |
0.000 |
| 2 |
3 |
|
D |
50 |
22 |
18558 |
◊ |
C |
x,y-1,z |
1_545 |
48 |
18 |
18601 |
402.4 |
-0.5 |
0.706 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
48 |
18 |
18577 |
◊ |
A |
x,y-1,z |
1_545 |
49 |
21 |
18524 |
395.3 |
-1.0 |
0.667 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
48 |
21 |
18577 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
18524 |
382.8 |
-1.1 |
0.655 |
3 |
0 |
0 |
0.000 |
6 |
|
D |
47 |
17 |
18558 |
◊ |
C |
x,y,z |
1_555 |
47 |
21 |
18601 |
378.4 |
-1.0 |
0.656 |
3 |
0 |
0 |
0.000 |
| Average: |
389.7 |
-0.9 |
0.671 |
3 |
0 |
0 |
0.000 |
| 3 |
7 |
|
B |
44 |
14 |
18577 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
10 |
18524 |
348.7 |
-2.8 |
0.412 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
36 |
9 |
18577 |
◊ |
A |
x-1,y-1,z |
1_445 |
41 |
13 |
18524 |
340.9 |
-1.7 |
0.501 |
3 |
0 |
0 |
0.000 |
9 |
|
D |
43 |
13 |
18558 |
◊ |
C |
x-1,y-1,z |
1_445 |
36 |
9 |
18601 |
339.6 |
-2.6 |
0.422 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
35 |
10 |
18558 |
◊ |
C |
x-1,y,z |
1_455 |
40 |
13 |
18601 |
319.2 |
-2.0 |
0.479 |
3 |
0 |
0 |
0.000 |
| Average: |
337.1 |
-2.3 |
0.453 |
3 |
0 |
0 |
0.000 |
| 4 |
11 |
|
C |
24 |
10 |
18601 |
x |
C |
x-1,y,z |
1_455 |
37 |
13 |
18601 |
264.6 |
0.4 |
0.761 |
6 |
3 |
0 |
0.000 |
12 |
|
D |
36 |
13 |
18558 |
x |
D |
x-1,y,z |
1_455 |
25 |
10 |
18558 |
262.6 |
0.0 |
0.719 |
6 |
3 |
0 |
0.000 |
13 |
|
B |
35 |
13 |
18577 |
x |
B |
x-1,y,z |
1_455 |
23 |
9 |
18577 |
250.2 |
0.4 |
0.761 |
6 |
3 |
0 |
0.000 |
14 |
|
A |
23 |
9 |
18524 |
x |
A |
x-1,y,z |
1_455 |
36 |
13 |
18524 |
246.5 |
0.4 |
0.767 |
6 |
3 |
0 |
0.000 |
| Average: |
256.0 |
0.3 |
0.752 |
6 |
3 |
0 |
0.000 |
| 5 |
15 |
|
[NAG]A:602 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
26 |
5 |
18524 |
167.8 |
4.4 |
0.465 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]D:602 |
12 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
27 |
6 |
18558 |
167.1 |
4.3 |
0.451 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]C:602 |
13 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
26 |
5 |
18601 |
167.0 |
4.3 |
0.422 |
1 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:602 |
14 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
26 |
6 |
18577 |
166.1 |
4.2 |
0.401 |
1 |
0 |
0 |
0.000 |
| Average: |
167.0 |
4.3 |
0.435 |
1 |
0 |
0 |
0.000 |
| 6 |
19 |
|
[NAG]B:600 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
16 |
8 |
18577 |
152.0 |
2.9 |
0.261 |
2 |
0 |
0 |
0.000 |
20 |
|
[NAG]C:600 |
12 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
16 |
8 |
18601 |
150.7 |
3.2 |
0.304 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]A:600 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
16 |
8 |
18524 |
150.5 |
3.1 |
0.312 |
2 |
0 |
0 |
0.000 |
22 |
|
[NAG]D:600 |
12 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
16 |
8 |
18558 |
149.2 |
2.7 |
0.295 |
2 |
0 |
0 |
0.000 |
| Average: |
150.6 |
3.0 |
0.293 |
2 |
0 |
0 |
0.000 |
| 7 |
23 |
|
[NAG]C:601 |
9 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
18601 |
116.8 |
2.6 |
0.357 |
1 |
0 |
0 |
0.000 |
| 8 |
24 |
|
[NAG]A:601 |
8 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
18524 |
115.1 |
2.5 |
0.390 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:601 |
8 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
18577 |
113.7 |
2.4 |
0.396 |
1 |
0 |
0 |
0.000 |
26 |
|
[NAG]D:601 |
9 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
18558 |
113.4 |
2.5 |
0.363 |
1 |
0 |
0 |
0.000 |
| Average: |
114.0 |
2.4 |
0.383 |
1 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[NAG]A:601 |
9 |
1 |
359 |
cf |
[NAG]A:600 |
x,y,z |
1_555 |
6 |
1 |
360 |
70.9 |
1.7 |
0.105 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]C:601 |
9 |
1 |
360 |
cf |
[NAG]C:600 |
x,y,z |
1_555 |
6 |
1 |
360 |
70.2 |
1.8 |
0.115 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:601 |
9 |
1 |
359 |
cf |
[NAG]B:600 |
x,y,z |
1_555 |
6 |
1 |
361 |
70.1 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]D:601 |
9 |
1 |
357 |
cf |
[NAG]D:600 |
x,y,z |
1_555 |
6 |
1 |
362 |
69.2 |
1.5 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
70.1 |
1.7 |
0.101 |
0 |
0 |
0 |
0.000 |
| 10 |
31 |
|
[NAG]A:603 |
8 |
1 |
362 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.8 |
1.8 |
0.091 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]C:603 |
8 |
1 |
363 |
cf |
[NAG]C:602 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.8 |
1.8 |
0.089 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:603 |
9 |
1 |
365 |
cf |
[NAG]D:602 |
x,y,z |
1_555 |
7 |
1 |
365 |
70.3 |
1.7 |
0.074 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]B:603 |
8 |
1 |
360 |
cf |
[NAG]B:602 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.9 |
1.6 |
0.106 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
1.7 |
0.090 |
0 |
0 |
0 |
0.000 |
| 11 |
35 |
|
[NAG]B:603 |
7 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
18577 |
67.8 |
1.0 |
0.330 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]D:603 |
7 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
18558 |
67.0 |
1.0 |
0.313 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]C:603 |
7 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
18601 |
64.3 |
1.4 |
0.314 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:603 |
7 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18524 |
63.7 |
1.3 |
0.320 |
0 |
0 |
0 |
0.000 |
| Average: |
65.7 |
1.2 |
0.319 |
0 |
0 |
0 |
0.000 |
| 12 |
39 |
|
[CU]D:536 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
18558 |
49.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.038 |
40 |
|
[CU]B:536 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
18577 |
49.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.038 |
41 |
|
[CU]C:536 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
18601 |
48.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
|
[CU]A:536 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
18524 |
48.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
48.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 13 |
43 |
|
[CU]D:537 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
18558 |
49.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.038 |
44 |
|
[CU]C:537 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
18601 |
49.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.038 |
45 |
|
[CU]A:537 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
18524 |
48.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
|
[CU]B:537 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
18577 |
48.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
48.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| 14 |
47 |
|
[CU]B:538 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
18577 |
48.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.043 |
48 |
|
[CU]D:538 |
1 |
1 |
125 |
cf |
D |
x,y,z |
1_555 |
5 |
4 |
18558 |
48.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.043 |
49 |
|
[CU]C:538 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18601 |
48.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.043 |
50 |
|
[CU]A:538 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18524 |
47.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
48.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 15 |
51 |
|
[CU]A:538 |
1 |
1 |
125 |
f |
[CU]A:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 16 |
52 |
|
[CU]C:538 |
1 |
1 |
125 |
f |
[CU]C:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 17 |
53 |
|
[CU]B:538 |
1 |
1 |
125 |
f |
[CU]B:537 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 18 |
54 |
|
[CU]A:538 |
1 |
1 |
125 |
f |
[CU]A:537 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 19 |
55 |
|
[CU]D:538 |
1 |
1 |
125 |
f |
[CU]D:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 20 |
56 |
|
[CU]D:538 |
1 |
1 |
125 |
f |
[CU]D:537 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
57 |
|
[CU]B:538 |
1 |
1 |
125 |
f |
[CU]B:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 22 |
58 |
|
[CU]C:538 |
1 |
1 |
125 |
f |
[CU]C:537 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 23 |
59 |
|
[CU]C:537 |
1 |
1 |
125 |
f |
[CU]C:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 24 |
60 |
|
[CU]A:537 |
1 |
1 |
125 |
f |
[CU]A:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 25 |
61 |
|
[CU]B:537 |
1 |
1 |
125 |
f |
[CU]B:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 26 |
62 |
|
[CU]D:537 |
1 |
1 |
125 |
f |
[CU]D:536 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 27 |
63 |
|
[NAG]B:603 |
1 |
1 |
360 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
18524 |
4.5 |
0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]D:603 |
1 |
1 |
365 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18601 |
4.2 |
0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]A:603 |
2 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18577 |
2.5 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
1 |
1 |
18558 |
◊ |
[NAG]C:603 |
x,y-1,z |
1_545 |
2 |
1 |
363 |
2.1 |
0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
3.3 |
0.2 |
0.439 |
0 |
0 |
0 |
0.000 |
|