## |
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 |
|
B |
45 |
15 |
6247 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
6179 |
421.1 |
-2.1 |
0.415 |
3 |
0 |
0 |
0.106 |
2 |
2 |
|
A |
46 |
15 |
6179 |
◊ |
B |
x,y,z-1 |
1_554 |
43 |
12 |
6247 |
404.5 |
-1.1 |
0.526 |
3 |
4 |
0 |
0.078 |
3 |
3 |
|
[K1N]C:101 |
34 |
1 |
862 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
6247 |
389.2 |
-11.2 |
0.421 |
1 |
0 |
0 |
0.773 |
4 |
|
[K1N]D:101 |
33 |
1 |
855 |
◊ |
A |
x,y,z |
1_555 |
48 |
13 |
6179 |
374.5 |
-10.5 |
0.473 |
2 |
0 |
0 |
0.773 |
Average: |
381.9 |
-10.9 |
0.447 |
2 |
0 |
0 |
0.773 |
4 |
5 |
|
A |
42 |
12 |
6179 |
◊ |
B |
x,y-1,z |
1_545 |
41 |
11 |
6247 |
353.0 |
1.4 |
0.745 |
3 |
8 |
0 |
0.000 |
5 |
6 |
|
A |
38 |
9 |
6179 |
◊ |
B |
x,y-1,z-1 |
1_544 |
37 |
9 |
6247 |
342.4 |
-3.4 |
0.265 |
0 |
0 |
0 |
0.103 |
6 |
7 |
|
A |
22 |
7 |
6179 |
◊ |
A |
-x,y,-z-1 |
2_554 |
22 |
7 |
6179 |
174.4 |
-0.1 |
0.593 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
22 |
7 |
6247 |
◊ |
B |
-x,y,-z+1 |
2_556 |
21 |
7 |
6247 |
171.0 |
-0.2 |
0.545 |
1 |
0 |
0 |
0.000 |
Average: |
172.7 |
-0.1 |
0.569 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
17 |
6 |
6247 |
x |
B |
x,y,z-1 |
1_554 |
28 |
9 |
6247 |
172.9 |
-0.2 |
0.534 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
25 |
10 |
6179 |
x |
A |
x,y,z-1 |
1_554 |
14 |
3 |
6179 |
153.9 |
-0.6 |
0.513 |
0 |
1 |
0 |
0.000 |
Average: |
163.4 |
-0.4 |
0.523 |
1 |
1 |
0 |
0.000 |
8 |
11 |
|
[K1N]D:101 |
14 |
1 |
855 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
7 |
6247 |
125.2 |
-0.6 |
0.831 |
1 |
0 |
0 |
0.071 |
12 |
|
A |
16 |
7 |
6179 |
◊ |
[K1N]C:101 |
x,y,z-1 |
1_554 |
8 |
1 |
862 |
101.1 |
-1.6 |
0.594 |
0 |
0 |
0 |
0.071 |
Average: |
113.1 |
-1.1 |
0.712 |
1 |
0 |
0 |
0.071 |
9 |
13 |
|
A |
10 |
3 |
6179 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
3 |
627 |
106.6 |
-0.5 |
0.431 |
3 |
0 |
0 |
0.054 |
10 |
14 |
|
[NLW]D:5 |
8 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
6179 |
102.7 |
-1.1 |
0.332 |
0 |
0 |
0 |
0.068 |
15 |
|
[NLW]C:5 |
7 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6247 |
98.6 |
-1.0 |
0.322 |
0 |
0 |
0 |
0.068 |
Average: |
100.7 |
-1.0 |
0.327 |
0 |
0 |
0 |
0.068 |
11 |
16 |
|
[NLW]C:5 |
8 |
1 |
306 |
cf |
C |
x,y,z |
1_555 |
14 |
4 |
627 |
101.7 |
-0.2 |
0.514 |
1 |
0 |
0 |
0.045 |
17 |
|
[NLW]D:5 |
8 |
1 |
306 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
634 |
95.2 |
-0.2 |
0.483 |
1 |
0 |
0 |
0.045 |
Average: |
98.5 |
-0.2 |
0.499 |
1 |
0 |
0 |
0.045 |
12 |
18 |
|
D |
9 |
2 |
634 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
6179 |
97.7 |
-0.2 |
0.470 |
1 |
0 |
0 |
0.053 |
19 |
|
C |
10 |
3 |
627 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6247 |
96.9 |
-0.4 |
0.427 |
1 |
0 |
0 |
0.053 |
Average: |
97.3 |
-0.3 |
0.449 |
1 |
0 |
0 |
0.053 |
13 |
20 |
|
[GOL]A:206 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
6179 |
88.9 |
0.8 |
0.741 |
2 |
0 |
0 |
0.012 |
14 |
21 |
|
[GOL]A:205 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6179 |
88.2 |
-0.4 |
0.558 |
1 |
0 |
0 |
0.220 |
15 |
22 |
|
[NO3]B:202 |
4 |
1 |
162 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6247 |
86.9 |
0.1 |
0.278 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[NO3]A:204 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6179 |
84.6 |
1.9 |
0.660 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[NO3]A:202 |
4 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
6179 |
80.7 |
1.1 |
0.460 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[NO3]A:203 |
4 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
6179 |
79.6 |
1.2 |
0.570 |
2 |
0 |
0 |
0.000 |
19 |
26 |
|
[NO3]B:203 |
4 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
6247 |
79.2 |
1.2 |
0.559 |
2 |
0 |
0 |
0.000 |
20 |
27 |
|
[GOL]B:207 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6247 |
78.9 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.007 |
21 |
28 |
|
A |
15 |
6 |
6179 |
◊ |
[NO3]B:205 |
x,y-1,z-1 |
1_544 |
4 |
1 |
161 |
77.9 |
0.8 |
0.433 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[NO3]B:204 |
4 |
1 |
162 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
6247 |
71.2 |
1.6 |
0.655 |
2 |
0 |
0 |
0.000 |
23 |
30 |
|
[K1N]D:101 |
6 |
1 |
855 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
634 |
69.5 |
-0.7 |
0.654 |
0 |
0 |
0 |
0.047 |
31 |
|
[K1N]C:101 |
5 |
1 |
862 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
627 |
68.8 |
-0.7 |
0.630 |
0 |
0 |
0 |
0.047 |
Average: |
69.1 |
-0.7 |
0.642 |
0 |
0 |
0 |
0.047 |
24 |
32 |
|
[NO3]A:201 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
6179 |
65.0 |
1.2 |
0.609 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
[NO3]B:201 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
6247 |
64.9 |
1.1 |
0.579 |
2 |
0 |
0 |
0.000 |
26 |
34 |
|
[K1N]D:101 |
7 |
1 |
855 |
◊ |
[K1N]C:101 |
x,y,z-1 |
1_554 |
5 |
1 |
862 |
64.8 |
-1.5 |
0.834 |
0 |
0 |
0 |
0.039 |
27 |
35 |
|
[NO3]B:206 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6247 |
64.4 |
0.6 |
0.396 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[NO3]B:205 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6247 |
59.5 |
0.4 |
0.371 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[K1N]D:101 |
5 |
1 |
855 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
627 |
51.7 |
-0.9 |
0.584 |
0 |
0 |
0 |
0.027 |
30 |
38 |
|
D |
4 |
1 |
634 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
6179 |
49.3 |
1.2 |
0.805 |
0 |
2 |
0 |
0.000 |
31 |
39 |
|
C |
7 |
2 |
627 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6179 |
46.6 |
1.4 |
0.772 |
1 |
0 |
0 |
0.000 |
40 |
|
D |
7 |
2 |
634 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6247 |
43.4 |
1.4 |
0.741 |
0 |
0 |
0 |
0.000 |
Average: |
45.0 |
1.4 |
0.757 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
[K1N]C:101 |
4 |
1 |
862 |
f |
[NLW]C:5 |
x,y,z |
1_555 |
4 |
1 |
306 |
44.1 |
-1.2 |
0.549 |
0 |
0 |
0 |
0.081 |
42 |
|
[K1N]D:101 |
4 |
1 |
855 |
f |
[NLW]D:5 |
x,y,z |
1_555 |
4 |
1 |
306 |
43.3 |
-1.3 |
0.542 |
0 |
0 |
0 |
0.081 |
Average: |
43.7 |
-1.3 |
0.546 |
0 |
0 |
0 |
0.081 |
33 |
43 |
|
[NO3]A:201 |
3 |
1 |
160 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
6247 |
43.5 |
0.9 |
0.111 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
A |
4 |
2 |
6179 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
634 |
41.9 |
1.2 |
0.746 |
2 |
1 |
0 |
0.000 |
35 |
45 |
|
A |
6 |
3 |
6179 |
f |
[NO3]B:201 |
x,y-1,z |
1_545 |
4 |
1 |
159 |
41.3 |
0.9 |
0.895 |
3 |
0 |
0 |
0.110 |
36 |
46 |
|
B |
4 |
2 |
6247 |
◊ |
[NO3]B:206 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
161 |
39.2 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[NO3]B:204 |
3 |
1 |
162 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
1 |
6247 |
36.0 |
0.6 |
0.809 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[NLW]C:5 |
4 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6179 |
34.7 |
1.0 |
0.779 |
1 |
0 |
0 |
0.000 |
49 |
|
[NLW]D:5 |
3 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6247 |
29.3 |
0.7 |
0.741 |
1 |
0 |
0 |
0.000 |
Average: |
32.0 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
[GOL]B:207 |
5 |
1 |
217 |
f |
[GOL]A:205 |
x,y,z |
1_555 |
4 |
1 |
215 |
30.8 |
-0.3 |
0.515 |
0 |
0 |
0 |
0.086 |
40 |
51 |
|
[NO3]A:203 |
3 |
1 |
159 |
f |
B |
x,y-1,z |
1_545 |
4 |
1 |
6247 |
26.9 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
D |
5 |
1 |
634 |
◊ |
[NO3]B:206 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
161 |
26.5 |
0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
A |
4 |
1 |
6179 |
f |
[NO3]B:203 |
x,y-1,z |
1_545 |
3 |
1 |
160 |
24.2 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.008 |
43 |
54 |
|
[NO3]A:204 |
3 |
1 |
162 |
◊ |
[NO3]A:203 |
x,y,z |
1_555 |
3 |
1 |
159 |
24.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[NO3]B:204 |
3 |
1 |
162 |
f |
[NO3]B:203 |
x,y,z |
1_555 |
3 |
1 |
160 |
23.2 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
D |
2 |
1 |
634 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
3 |
6247 |
21.9 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[NO3]A:201 |
4 |
1 |
160 |
f |
[NO3]B:201 |
x,y-1,z |
1_545 |
4 |
1 |
159 |
21.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
C |
3 |
1 |
627 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
6247 |
21.4 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[NO3]A:202 |
2 |
1 |
160 |
f |
B |
x,y-1,z |
1_545 |
2 |
1 |
6247 |
20.4 |
0.4 |
0.880 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
B |
2 |
2 |
6247 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
6247 |
16.5 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
50 |
61 |
|
A |
2 |
1 |
6179 |
f |
[NO3]A:204 |
x,y,z-1 |
1_554 |
2 |
1 |
162 |
12.1 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.010 |
51 |
62 |
|
A |
3 |
1 |
6179 |
◊ |
[NO3]B:206 |
x,y-1,z-1 |
1_544 |
2 |
1 |
161 |
11.4 |
0.3 |
0.840 |
0 |
0 |
0 |
0.000 |
52 |
63 |
|
A |
1 |
1 |
6179 |
◊ |
[NO3]B:202 |
x,y-1,z |
1_545 |
2 |
1 |
162 |
10.5 |
0.2 |
0.891 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
A |
1 |
1 |
6179 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
6247 |
9.7 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
A |
1 |
1 |
6179 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
6179 |
1.8 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[NO3]B:202 |
1 |
1 |
162 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6247 |
1.6 |
0.0 |
0.833 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
B |
1 |
1 |
6247 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
627 |
1.1 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|