| ## |
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 |
120 |
35 |
14563 |
◊ |
A |
x,y,z |
1_555 |
120 |
34 |
14145 |
1176.1 |
-5.5 |
0.452 |
11 |
5 |
0 |
0.063 |
2 |
|
D |
114 |
36 |
14208 |
◊ |
C |
x,y,z |
1_555 |
111 |
33 |
14687 |
1138.0 |
-6.3 |
0.368 |
11 |
6 |
0 |
0.063 |
| Average: |
1157.0 |
-5.9 |
0.410 |
11 |
6 |
0 |
0.063 |
| 2 |
3 |
|
C |
51 |
17 |
14687 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
55 |
17 |
14563 |
530.1 |
0.5 |
0.726 |
7 |
1 |
0 |
0.000 |
4 |
|
D |
55 |
15 |
14208 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
14563 |
528.5 |
-0.5 |
0.558 |
7 |
2 |
0 |
0.000 |
| Average: |
529.3 |
-0.0 |
0.642 |
7 |
2 |
0 |
0.000 |
| 3 |
5 |
|
C |
52 |
17 |
14687 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
61 |
16 |
14208 |
525.7 |
-2.8 |
0.358 |
7 |
3 |
0 |
0.000 |
6 |
|
A |
50 |
18 |
14145 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
55 |
16 |
14563 |
494.6 |
-1.7 |
0.471 |
7 |
3 |
0 |
0.000 |
| Average: |
510.1 |
-2.2 |
0.415 |
7 |
3 |
0 |
0.000 |
| 4 |
7 |
|
B |
48 |
18 |
14563 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
40 |
15 |
14145 |
404.2 |
0.6 |
0.718 |
6 |
3 |
0 |
0.000 |
8 |
|
D |
46 |
15 |
14208 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
42 |
14 |
14687 |
397.0 |
-0.2 |
0.657 |
3 |
2 |
0 |
0.000 |
| Average: |
400.6 |
0.2 |
0.687 |
5 |
3 |
0 |
0.000 |
| 5 |
9 |
|
B |
39 |
11 |
14563 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
38 |
11 |
14687 |
359.3 |
1.4 |
0.777 |
7 |
5 |
0 |
0.000 |
10 |
|
D |
40 |
11 |
14208 |
◊ |
B |
-x,y,-z+1 |
2_556 |
39 |
12 |
14563 |
359.2 |
1.4 |
0.786 |
7 |
5 |
0 |
0.000 |
11 |
|
D |
38 |
12 |
14208 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
37 |
12 |
14145 |
349.6 |
1.2 |
0.773 |
8 |
5 |
0 |
0.000 |
12 |
|
C |
32 |
11 |
14687 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
37 |
13 |
14145 |
296.4 |
0.3 |
0.634 |
4 |
5 |
0 |
0.000 |
| Average: |
341.1 |
1.1 |
0.743 |
7 |
5 |
0 |
0.000 |
| 6 |
13 |
|
C |
36 |
13 |
14687 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
11 |
14145 |
329.4 |
-1.9 |
0.435 |
3 |
0 |
0 |
0.000 |
14 |
|
D |
31 |
12 |
14208 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
13 |
14145 |
321.0 |
-1.2 |
0.518 |
1 |
2 |
0 |
0.000 |
| Average: |
325.2 |
-1.5 |
0.476 |
2 |
1 |
0 |
0.000 |
| 7 |
15 |
|
C |
20 |
9 |
14687 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
6 |
14563 |
185.1 |
1.0 |
0.751 |
2 |
2 |
0 |
0.000 |
| 8 |
16 |
|
C |
18 |
7 |
14687 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
14145 |
159.9 |
1.4 |
0.802 |
4 |
0 |
0 |
0.000 |
17 |
|
D |
10 |
5 |
14208 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
9 |
4 |
14145 |
61.7 |
0.8 |
0.773 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
7 |
4 |
14208 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
14563 |
38.9 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| Average: |
86.8 |
0.7 |
0.724 |
1 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[GOL]C:1692 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
14687 |
108.4 |
-0.3 |
0.517 |
4 |
0 |
0 |
0.076 |
20 |
|
[GOL]A:1686 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14145 |
106.4 |
-0.3 |
0.517 |
3 |
0 |
0 |
0.076 |
21 |
|
[GOL]D:1685 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
14208 |
106.3 |
-0.7 |
0.505 |
4 |
0 |
0 |
0.076 |
| Average: |
107.0 |
-0.4 |
0.513 |
4 |
0 |
0 |
0.076 |
| 10 |
22 |
|
[GOL]B:1692 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
14563 |
107.8 |
-0.6 |
0.505 |
4 |
0 |
0 |
0.056 |
| 11 |
23 |
|
[GOL]C:1693 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
14687 |
100.0 |
-0.2 |
0.508 |
2 |
0 |
0 |
0.029 |
| 12 |
24 |
|
[NO3]C:1694 |
4 |
1 |
168 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
14687 |
97.2 |
1.5 |
0.723 |
4 |
0 |
0 |
0.007 |
| 13 |
25 |
|
[NO3]A:1687 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14145 |
97.1 |
1.5 |
0.720 |
4 |
0 |
0 |
0.010 |
| 14 |
26 |
|
[NO3]B:1694 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14563 |
97.1 |
1.5 |
0.738 |
4 |
0 |
0 |
0.007 |
27 |
|
[NO3]D:1686 |
4 |
1 |
168 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
14208 |
95.9 |
1.6 |
0.738 |
4 |
0 |
0 |
0.007 |
| Average: |
96.5 |
1.5 |
0.738 |
4 |
0 |
0 |
0.007 |
| 15 |
28 |
|
[NO3]C:1695 |
4 |
1 |
169 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14687 |
92.9 |
1.8 |
0.748 |
5 |
0 |
0 |
0.012 |
| 16 |
29 |
|
[NO3]A:1688 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14145 |
91.9 |
1.8 |
0.762 |
6 |
0 |
0 |
0.031 |
| 17 |
30 |
|
[GOL]B:1693 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14563 |
91.5 |
-0.2 |
0.544 |
2 |
0 |
0 |
0.026 |
| 18 |
31 |
|
[NO3]D:1687 |
4 |
1 |
168 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14208 |
91.0 |
1.7 |
0.755 |
5 |
0 |
0 |
0.019 |
32 |
|
[NO3]B:1696 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14563 |
89.0 |
1.9 |
0.779 |
6 |
0 |
0 |
0.019 |
| Average: |
90.0 |
1.8 |
0.767 |
6 |
0 |
0 |
0.019 |
| 19 |
33 |
|
[NO3]B:1695 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14563 |
71.0 |
1.3 |
0.519 |
3 |
0 |
0 |
0.000 |
34 |
|
[NO3]D:1688 |
4 |
1 |
169 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14208 |
70.6 |
1.4 |
0.535 |
3 |
0 |
0 |
0.000 |
| Average: |
70.8 |
1.4 |
0.527 |
3 |
0 |
0 |
0.001 |
| 20 |
35 |
|
D |
9 |
3 |
14208 |
f |
[NO3]C:1696 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
168 |
68.4 |
0.3 |
0.301 |
1 |
0 |
0 |
0.006 |
| 21 |
36 |
|
C |
10 |
4 |
14687 |
◊ |
[NO3]D:1688 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
169 |
64.9 |
0.7 |
0.431 |
1 |
0 |
0 |
0.000 |
| 22 |
37 |
|
A |
10 |
4 |
14145 |
◊ |
[NO3]B:1695 |
-x+1/2,y-1/2,-z+2 |
4_547 |
4 |
1 |
168 |
64.6 |
0.7 |
0.438 |
1 |
0 |
0 |
0.000 |
| 23 |
38 |
|
B |
8 |
3 |
14563 |
f |
[NO3]A:1689 |
-x+1/2,y-1/2,-z+2 |
4_547 |
4 |
1 |
169 |
62.4 |
0.2 |
0.311 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[NO3]A:1689 |
4 |
1 |
169 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14145 |
59.9 |
1.0 |
0.460 |
1 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[NO3]C:1696 |
3 |
1 |
168 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
14687 |
55.1 |
0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[GOL]C:1693 |
1 |
1 |
222 |
f |
[GOL]C:1692 |
x,y,z |
1_555 |
1 |
1 |
222 |
6.5 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[GOL]B:1693 |
1 |
1 |
220 |
f |
[GOL]B:1692 |
x,y,z |
1_555 |
1 |
1 |
219 |
3.6 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
C |
1 |
1 |
14687 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
14687 |
3.4 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
|