## |
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 |
|
[1MA]B:58 |
22 |
1 |
498 |
cf |
B |
x,y,z |
1_555 |
49 |
6 |
12663 |
303.3 |
1.9 |
0.834 |
3 |
0 |
0 |
0.000 |
2 |
|
[1MA]C:58 |
21 |
1 |
495 |
cf |
C |
x,y,z |
1_555 |
48 |
6 |
12996 |
303.2 |
1.9 |
0.831 |
3 |
0 |
0 |
0.000 |
Average: |
303.3 |
1.9 |
0.833 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
[7MG]C:46 |
23 |
1 |
511 |
cf |
C |
x,y,z |
1_555 |
41 |
7 |
12996 |
297.7 |
2.3 |
0.851 |
2 |
0 |
0 |
0.000 |
4 |
|
[7MG]B:46 |
23 |
1 |
512 |
cf |
B |
x,y,z |
1_555 |
39 |
7 |
12663 |
297.4 |
2.3 |
0.865 |
2 |
0 |
0 |
0.000 |
Average: |
297.6 |
2.3 |
0.858 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
[M2G]C:26 |
25 |
1 |
528 |
cf |
C |
x,y,z |
1_555 |
38 |
7 |
12996 |
289.5 |
3.3 |
0.932 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[M2G]B:26 |
25 |
1 |
530 |
cf |
B |
x,y,z |
1_555 |
38 |
5 |
12663 |
288.1 |
3.0 |
0.920 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[YG]B:37 |
30 |
1 |
745 |
cf |
B |
x,y,z |
1_555 |
35 |
3 |
12663 |
273.4 |
5.6 |
0.738 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[YG]C:37 |
30 |
1 |
753 |
cf |
C |
x,y,z |
1_555 |
35 |
3 |
12996 |
267.3 |
5.0 |
0.723 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[4SU]D:8 |
19 |
1 |
443 |
cf |
D |
x,y,z |
1_555 |
36 |
6 |
12655 |
267.2 |
-3.6 |
0.750 |
2 |
0 |
0 |
0.032 |
8 |
10 |
|
[OMC]C:32 |
20 |
1 |
460 |
cf |
C |
x,y,z |
1_555 |
35 |
4 |
12996 |
266.6 |
3.4 |
0.873 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[OMC]B:32 |
19 |
1 |
460 |
cf |
B |
x,y,z |
1_555 |
35 |
4 |
12663 |
265.8 |
3.2 |
0.869 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
[5MC]D:49 |
21 |
1 |
437 |
cf |
D |
x,y,z |
1_555 |
34 |
9 |
12655 |
262.8 |
-1.4 |
0.801 |
3 |
0 |
0 |
0.020 |
11 |
13 |
|
[5MC]B:49 |
20 |
1 |
440 |
cf |
B |
x,y,z |
1_555 |
36 |
9 |
12663 |
258.8 |
-1.2 |
0.788 |
5 |
0 |
0 |
0.065 |
14 |
|
[5MC]C:49 |
21 |
1 |
439 |
cf |
C |
x,y,z |
1_555 |
39 |
9 |
12996 |
257.8 |
-1.0 |
0.802 |
5 |
0 |
0 |
0.065 |
Average: |
258.3 |
-1.1 |
0.795 |
5 |
0 |
0 |
0.065 |
12 |
15 |
|
[2MG]C:10 |
20 |
1 |
496 |
cf |
C |
x,y,z |
1_555 |
33 |
6 |
12996 |
230.0 |
-1.7 |
0.736 |
4 |
0 |
0 |
0.069 |
16 |
|
[2MG]B:10 |
20 |
1 |
495 |
cf |
B |
x,y,z |
1_555 |
33 |
6 |
12663 |
229.1 |
-1.8 |
0.736 |
4 |
0 |
0 |
0.069 |
Average: |
229.6 |
-1.7 |
0.736 |
4 |
0 |
0 |
0.069 |
13 |
17 |
|
[PSU]D:55 |
20 |
1 |
425 |
cf |
D |
x,y,z |
1_555 |
19 |
5 |
12655 |
173.2 |
-4.5 |
0.560 |
3 |
0 |
0 |
0.043 |
14 |
18 |
|
[OMG]C:34 |
18 |
1 |
482 |
cf |
C |
x,y,z |
1_555 |
25 |
2 |
12996 |
169.4 |
0.4 |
0.652 |
1 |
0 |
0 |
0.001 |
15 |
19 |
|
[5MU]D:54 |
17 |
1 |
438 |
cf |
D |
x,y,z |
1_555 |
23 |
4 |
12655 |
168.8 |
1.1 |
0.869 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[OMG]B:34 |
19 |
1 |
480 |
cf |
B |
x,y,z |
1_555 |
25 |
2 |
12663 |
166.5 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[PSU]B:39 |
16 |
1 |
430 |
cf |
B |
x,y,z |
1_555 |
23 |
4 |
12663 |
162.4 |
1.7 |
0.845 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[PSU]B:55 |
20 |
1 |
431 |
cf |
B |
x,y,z |
1_555 |
18 |
3 |
12663 |
154.7 |
-3.7 |
0.602 |
2 |
0 |
0 |
0.091 |
23 |
|
[PSU]C:55 |
20 |
1 |
427 |
cf |
C |
x,y,z |
1_555 |
18 |
3 |
12996 |
154.3 |
-3.7 |
0.598 |
2 |
0 |
0 |
0.091 |
Average: |
154.5 |
-3.7 |
0.600 |
2 |
0 |
0 |
0.091 |
19 |
24 |
|
[5MU]B:54 |
18 |
1 |
438 |
cf |
B |
x,y,z |
1_555 |
27 |
3 |
12663 |
153.5 |
1.2 |
0.887 |
0 |
0 |
0 |
0.000 |
25 |
|
[5MU]C:54 |
18 |
1 |
437 |
cf |
C |
x,y,z |
1_555 |
27 |
3 |
12996 |
152.7 |
1.2 |
0.880 |
0 |
0 |
0 |
0.000 |
Average: |
153.1 |
1.2 |
0.884 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[PSU]C:39 |
16 |
1 |
429 |
cf |
C |
x,y,z |
1_555 |
22 |
3 |
12996 |
152.8 |
2.5 |
0.869 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[5MC]B:40 |
15 |
1 |
443 |
cf |
B |
x,y,z |
1_555 |
17 |
4 |
12663 |
146.1 |
1.9 |
0.854 |
5 |
0 |
0 |
0.006 |
22 |
28 |
|
[5MC]C:40 |
15 |
1 |
440 |
cf |
C |
x,y,z |
1_555 |
17 |
4 |
12996 |
144.2 |
1.9 |
0.845 |
5 |
0 |
0 |
0.007 |
23 |
29 |
|
[H2U]C:16 |
13 |
1 |
417 |
cf |
C |
x,y,z |
1_555 |
19 |
5 |
12996 |
125.7 |
-3.9 |
0.509 |
0 |
0 |
0 |
0.078 |
30 |
|
[H2U]B:16 |
13 |
1 |
413 |
cf |
B |
x,y,z |
1_555 |
20 |
5 |
12663 |
124.6 |
-3.9 |
0.538 |
0 |
0 |
0 |
0.078 |
Average: |
125.1 |
-3.9 |
0.524 |
0 |
0 |
0 |
0.078 |
24 |
31 |
|
[5MU]C:54 |
16 |
1 |
437 |
cf |
[PSU]C:55 |
x,y,z |
1_555 |
15 |
1 |
427 |
119.5 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
32 |
|
[5MU]B:54 |
16 |
1 |
438 |
cf |
[PSU]B:55 |
x,y,z |
1_555 |
15 |
1 |
431 |
119.4 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
33 |
|
[5MU]D:54 |
17 |
1 |
438 |
cf |
[PSU]D:55 |
x,y,z |
1_555 |
14 |
1 |
425 |
116.4 |
0.6 |
0.743 |
0 |
0 |
0 |
0.000 |
Average: |
118.5 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[5MC]B:40 |
15 |
1 |
443 |
cf |
[PSU]B:39 |
x,y,z |
1_555 |
16 |
1 |
430 |
118.5 |
0.7 |
0.711 |
1 |
0 |
0 |
0.000 |
35 |
|
[5MC]C:40 |
15 |
1 |
440 |
cf |
[PSU]C:39 |
x,y,z |
1_555 |
17 |
1 |
429 |
118.3 |
0.7 |
0.713 |
1 |
0 |
0 |
0.000 |
Average: |
118.4 |
0.7 |
0.712 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
[M2G]C:26 |
13 |
1 |
528 |
f |
[2MG]C:10 |
x,y,z |
1_555 |
13 |
1 |
496 |
98.9 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[H2U]D:21 |
12 |
1 |
443 |
cf |
D |
x,y,z |
1_555 |
10 |
5 |
12655 |
97.3 |
-1.6 |
0.590 |
0 |
0 |
0 |
0.011 |
28 |
38 |
|
C |
14 |
4 |
12996 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12663 |
86.7 |
-2.2 |
0.692 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[M2G]B:26 |
15 |
1 |
530 |
f |
[2MG]B:10 |
x,y,z |
1_555 |
13 |
1 |
495 |
85.9 |
1.1 |
0.750 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[H2U]C:17 |
7 |
1 |
430 |
cf |
C |
x,y,z |
1_555 |
9 |
2 |
12996 |
77.4 |
-2.6 |
0.412 |
0 |
0 |
0 |
0.053 |
41 |
|
[H2U]B:17 |
7 |
1 |
435 |
cf |
B |
x,y,z |
1_555 |
10 |
2 |
12663 |
77.4 |
-2.8 |
0.411 |
0 |
0 |
0 |
0.053 |
Average: |
77.4 |
-2.7 |
0.411 |
0 |
0 |
0 |
0.053 |
31 |
42 |
|
[H2U]D:20 |
7 |
1 |
450 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
12655 |
77.0 |
-1.6 |
0.565 |
0 |
0 |
0 |
0.011 |
32 |
43 |
|
[H2U]B:17 |
9 |
1 |
435 |
cf |
[H2U]B:16 |
x,y,z |
1_555 |
7 |
1 |
413 |
75.0 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.007 |
44 |
|
[H2U]C:17 |
9 |
1 |
430 |
cf |
[H2U]C:16 |
x,y,z |
1_555 |
7 |
1 |
417 |
74.8 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.007 |
Average: |
74.9 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.007 |
33 |
45 |
|
[4SU]D:8 |
10 |
1 |
443 |
f |
[5MC]D:49 |
x,y,z |
1_555 |
8 |
1 |
437 |
62.1 |
2.0 |
0.798 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[1MA]C:58 |
5 |
1 |
495 |
f |
[5MU]C:54 |
x,y,z |
1_555 |
5 |
1 |
437 |
60.0 |
0.3 |
0.599 |
1 |
0 |
0 |
0.005 |
47 |
|
[1MA]B:58 |
5 |
1 |
498 |
f |
[5MU]B:54 |
x,y,z |
1_555 |
5 |
1 |
438 |
59.8 |
0.2 |
0.584 |
1 |
0 |
0 |
0.005 |
Average: |
59.9 |
0.2 |
0.592 |
1 |
0 |
0 |
0.005 |
35 |
48 |
|
[H2U]D:21 |
5 |
1 |
443 |
cf |
[H2U]D:20 |
x,y,z |
1_555 |
7 |
1 |
450 |
54.6 |
-0.9 |
0.509 |
0 |
0 |
0 |
0.006 |
36 |
49 |
|
[1MA]B:58 |
8 |
1 |
498 |
f |
[PSU]B:55 |
x,y,z |
1_555 |
8 |
1 |
431 |
53.6 |
-0.9 |
0.488 |
1 |
0 |
0 |
0.026 |
50 |
|
[1MA]C:58 |
7 |
1 |
495 |
f |
[PSU]C:55 |
x,y,z |
1_555 |
8 |
1 |
427 |
53.3 |
-0.9 |
0.484 |
1 |
0 |
0 |
0.026 |
Average: |
53.4 |
-0.9 |
0.486 |
1 |
0 |
0 |
0.026 |
37 |
51 |
|
[YG]C:37 |
3 |
1 |
753 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
12655 |
43.7 |
-1.3 |
0.490 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[H2U]B:16 |
5 |
1 |
413 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12996 |
32.2 |
-0.7 |
0.402 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
[YG]B:37 |
5 |
1 |
745 |
f |
[OMC]B:32 |
x,y,z |
1_555 |
2 |
1 |
460 |
26.8 |
-1.1 |
0.347 |
0 |
0 |
0 |
0.021 |
54 |
|
[YG]C:37 |
5 |
1 |
753 |
f |
[OMC]C:32 |
x,y,z |
1_555 |
2 |
1 |
460 |
26.7 |
-1.1 |
0.346 |
0 |
0 |
0 |
0.021 |
Average: |
26.8 |
-1.1 |
0.347 |
0 |
0 |
0 |
0.021 |
40 |
55 |
|
[7MG]C:46 |
3 |
1 |
511 |
f |
[2MG]C:10 |
x,y,z |
1_555 |
3 |
1 |
496 |
24.7 |
0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
56 |
|
[7MG]B:46 |
2 |
1 |
512 |
f |
[2MG]B:10 |
x,y,z |
1_555 |
3 |
1 |
495 |
24.3 |
0.3 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[PSU]C:39 |
3 |
1 |
429 |
f |
[OMC]C:32 |
x,y,z |
1_555 |
3 |
1 |
460 |
12.2 |
0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
58 |
|
[PSU]B:39 |
3 |
1 |
430 |
f |
[OMC]B:32 |
x,y,z |
1_555 |
3 |
1 |
460 |
12.1 |
0.4 |
0.545 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.4 |
0.542 |
0 |
0 |
0 |
0.000 |
42 |
59 |
|
[YG]B:37 |
1 |
1 |
745 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12996 |
8.2 |
-0.2 |
0.476 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
[YG]B:37 |
1 |
1 |
745 |
◊ |
[OMG]C:34 |
x,y,z |
1_555 |
1 |
1 |
482 |
2.5 |
0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[PSU]C:39 |
1 |
1 |
429 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12655 |
1.6 |
-0.0 |
0.422 |
0 |
0 |
0 |
0.000 |
|