| ## |
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 |
|
F |
188 |
50 |
15152 |
◊ |
B |
x,y,z |
1_555 |
192 |
49 |
15339 |
1730.3 |
-3.7 |
0.775 |
28 |
22 |
0 |
1.000 |
2 |
|
E |
191 |
56 |
15281 |
◊ |
D |
x,y,z |
1_555 |
200 |
51 |
14872 |
1728.6 |
-7.0 |
0.748 |
19 |
17 |
0 |
1.000 |
3 |
|
G |
153 |
43 |
15087 |
◊ |
A |
x,y,z |
1_555 |
163 |
48 |
14939 |
1396.0 |
-7.6 |
0.668 |
19 |
14 |
0 |
1.000 |
4 |
|
H |
140 |
44 |
14915 |
◊ |
C |
x,y,z |
1_555 |
142 |
45 |
15240 |
1242.9 |
-7.3 |
0.630 |
16 |
13 |
0 |
1.000 |
| Average: |
1524.4 |
-6.4 |
0.705 |
21 |
17 |
0 |
1.000 |
| 2 |
5 |
|
B |
126 |
40 |
15339 |
◊ |
A |
x,y,z |
1_555 |
130 |
42 |
14939 |
1350.6 |
-19.6 |
0.045 |
8 |
3 |
0 |
1.000 |
6 |
|
H |
123 |
38 |
14915 |
◊ |
E |
x,y,z |
1_555 |
126 |
40 |
15281 |
1336.2 |
-17.2 |
0.074 |
9 |
2 |
0 |
1.000 |
7 |
|
D |
123 |
38 |
14872 |
◊ |
C |
x,y,z |
1_555 |
130 |
41 |
15240 |
1327.5 |
-21.0 |
0.040 |
7 |
2 |
0 |
1.000 |
8 |
|
G |
130 |
40 |
15087 |
◊ |
F |
x,y,z |
1_555 |
121 |
38 |
15152 |
1317.0 |
-19.9 |
0.022 |
5 |
2 |
0 |
1.000 |
| Average: |
1332.8 |
-19.4 |
0.045 |
7 |
2 |
0 |
1.000 |
| 3 |
9 |
|
G |
105 |
30 |
15087 |
◊ |
B |
x,y,z |
1_555 |
109 |
29 |
15339 |
1054.8 |
-10.4 |
0.258 |
18 |
12 |
0 |
1.000 |
10 |
|
H |
107 |
31 |
14915 |
◊ |
D |
x,y,z |
1_555 |
107 |
31 |
14872 |
1039.7 |
-9.6 |
0.403 |
17 |
13 |
0 |
1.000 |
11 |
|
F |
108 |
31 |
15152 |
◊ |
A |
x,y,z |
1_555 |
111 |
32 |
14939 |
1037.8 |
-9.5 |
0.332 |
20 |
12 |
0 |
1.000 |
12 |
|
E |
102 |
32 |
15281 |
◊ |
C |
x,y,z |
1_555 |
112 |
29 |
15240 |
1031.0 |
-8.7 |
0.325 |
19 |
13 |
0 |
1.000 |
| Average: |
1040.8 |
-9.6 |
0.330 |
19 |
13 |
0 |
1.000 |
| 4 |
13 |
|
G |
36 |
12 |
15087 |
◊ |
D |
x-1,y+1,z |
1_465 |
36 |
10 |
14872 |
325.6 |
1.0 |
0.829 |
5 |
4 |
0 |
0.000 |
| 5 |
14 |
|
E |
32 |
8 |
15281 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
12 |
14939 |
301.3 |
2.7 |
0.901 |
8 |
8 |
0 |
0.000 |
| 6 |
15 |
|
D |
40 |
17 |
14872 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
33 |
12 |
15087 |
283.2 |
-0.9 |
0.689 |
1 |
0 |
0 |
0.000 |
| 7 |
16 |
|
H |
30 |
9 |
14915 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
30 |
9 |
15240 |
281.0 |
-0.6 |
0.700 |
2 |
0 |
0 |
0.000 |
| 8 |
17 |
|
C |
31 |
13 |
15240 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
25 |
8 |
15339 |
247.7 |
0.2 |
0.713 |
3 |
0 |
0 |
0.000 |
18 |
|
H |
9 |
4 |
14915 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
10 |
6 |
15152 |
85.9 |
-1.5 |
0.296 |
0 |
0 |
0 |
0.000 |
| Average: |
166.8 |
-0.7 |
0.505 |
2 |
0 |
0 |
0.000 |
| 9 |
19 |
|
C |
28 |
12 |
15240 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
21 |
5 |
15281 |
207.1 |
-1.9 |
0.469 |
3 |
0 |
0 |
0.000 |
| 10 |
20 |
|
C |
28 |
8 |
15240 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
28 |
9 |
15152 |
205.6 |
-0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
E |
19 |
6 |
15281 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
16 |
6 |
15152 |
160.0 |
1.4 |
0.817 |
3 |
0 |
0 |
0.000 |
22 |
|
C |
15 |
6 |
15240 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
6 |
14939 |
149.1 |
1.7 |
0.880 |
6 |
0 |
0 |
0.000 |
| Average: |
154.5 |
1.5 |
0.848 |
5 |
0 |
0 |
0.000 |
| 12 |
23 |
|
G |
16 |
5 |
15087 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
21 |
7 |
14939 |
149.5 |
0.1 |
0.724 |
2 |
0 |
0 |
0.000 |
| 13 |
24 |
|
F |
16 |
5 |
15152 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
6 |
15281 |
125.7 |
1.0 |
0.787 |
2 |
2 |
0 |
0.000 |
| 14 |
25 |
|
G |
11 |
4 |
15087 |
x |
G |
-x,y-1/2,-z+1 |
2_546 |
13 |
3 |
15087 |
118.6 |
-0.3 |
0.603 |
2 |
0 |
0 |
0.000 |
| 15 |
26 |
|
D |
14 |
7 |
14872 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
15339 |
105.7 |
-0.9 |
0.544 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
D |
11 |
4 |
14872 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15339 |
93.5 |
-0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[AZI]B:341 |
3 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15339 |
91.3 |
1.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
F |
12 |
6 |
15152 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
15339 |
79.0 |
0.7 |
0.638 |
2 |
2 |
0 |
0.000 |
| 19 |
30 |
|
[AZI]A:341 |
3 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14939 |
71.1 |
0.6 |
0.441 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[CL]B:342 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15339 |
70.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.351 |
| 21 |
32 |
|
F |
8 |
5 |
15152 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
14939 |
68.8 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
A |
8 |
4 |
14939 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
15087 |
68.8 |
0.7 |
0.789 |
3 |
1 |
0 |
0.000 |
| 23 |
34 |
|
D |
6 |
2 |
14872 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
3 |
15281 |
59.6 |
0.8 |
0.761 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
C |
7 |
2 |
15240 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
2 |
15152 |
58.6 |
0.5 |
0.764 |
1 |
1 |
0 |
0.000 |
| 25 |
36 |
|
C |
6 |
3 |
15240 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
15240 |
58.4 |
-0.8 |
0.336 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[NO3]F:339 |
4 |
1 |
168 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
15152 |
57.6 |
0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[NO3]A:342 |
4 |
1 |
168 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
15087 |
56.5 |
0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[NO3]C:341 |
4 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
15240 |
56.2 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[NO3]D:340 |
4 |
1 |
168 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14872 |
55.6 |
0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[NO3]C:341 |
4 |
1 |
167 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
14915 |
54.3 |
0.2 |
0.403 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
[NO3]F:339 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
15339 |
53.9 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[NO3]D:340 |
4 |
1 |
168 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
15281 |
53.8 |
0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[NO3]A:342 |
4 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14939 |
51.9 |
0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
B |
5 |
5 |
15339 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
14939 |
41.9 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
D |
5 |
2 |
14872 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
14939 |
38.3 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
E |
5 |
1 |
15281 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
14939 |
29.0 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[NO3]F:339 |
3 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
14939 |
28.7 |
-0.2 |
0.563 |
0 |
0 |
0 |
0.009 |
| 38 |
49 |
|
[NO3]A:342 |
3 |
1 |
168 |
f |
F |
x,y,z |
1_555 |
5 |
1 |
15152 |
27.9 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.100 |
| 39 |
50 |
|
[NO3]C:341 |
3 |
1 |
167 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
14872 |
27.7 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.008 |
| 40 |
51 |
|
[NO3]F:339 |
3 |
1 |
168 |
f |
G |
x,y,z |
1_555 |
5 |
1 |
15087 |
26.9 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.011 |
| 41 |
52 |
|
[NO3]D:340 |
3 |
1 |
168 |
f |
H |
x,y,z |
1_555 |
7 |
1 |
14915 |
26.4 |
-0.2 |
0.614 |
0 |
0 |
0 |
0.100 |
| 42 |
53 |
|
[NO3]D:340 |
3 |
1 |
168 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
15240 |
26.2 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.010 |
| 43 |
54 |
|
[NO3]C:341 |
3 |
1 |
167 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
15281 |
25.5 |
-0.2 |
0.538 |
0 |
0 |
0 |
0.100 |
| 44 |
55 |
|
C |
3 |
2 |
15240 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
14915 |
25.2 |
0.7 |
0.857 |
1 |
0 |
0 |
0.000 |
| 45 |
56 |
|
[NO3]A:342 |
3 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15339 |
25.2 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.005 |
| 46 |
57 |
|
E |
3 |
1 |
15281 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15339 |
22.6 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[AZI]B:341 |
3 |
1 |
159 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
15087 |
19.4 |
0.3 |
0.346 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
D |
1 |
1 |
14872 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
14915 |
12.4 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 49 |
60 |
|
H |
3 |
1 |
14915 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
15339 |
7.5 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| 50 |
61 |
|
B |
1 |
1 |
15339 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
15087 |
2.4 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
|