## |
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 |
|
H |
222 |
61 |
13068 |
◊ |
G |
x,y,z |
1_555 |
208 |
59 |
11834 |
1973.0 |
-24.7 |
0.081 |
24 |
7 |
1 |
0.813 |
2 |
|
F |
210 |
59 |
12365 |
◊ |
E |
x,y,z |
1_555 |
208 |
56 |
10767 |
1837.2 |
-25.9 |
0.129 |
26 |
6 |
1 |
0.813 |
Average: |
1905.1 |
-25.3 |
0.105 |
25 |
7 |
1 |
0.813 |
2 |
3 |
|
D |
130 |
30 |
6634 |
◊ |
C |
x,y,z |
1_555 |
132 |
40 |
15029 |
1227.1 |
-8.3 |
0.301 |
11 |
4 |
0 |
0.411 |
4 |
|
B |
119 |
30 |
6380 |
◊ |
A |
x,y,z |
1_555 |
133 |
39 |
14924 |
1167.4 |
-8.1 |
0.306 |
14 |
5 |
0 |
0.411 |
Average: |
1197.3 |
-8.2 |
0.303 |
13 |
5 |
0 |
0.411 |
3 |
5 |
|
H |
97 |
31 |
13068 |
◊ |
C |
x,y,z |
1_555 |
87 |
30 |
15029 |
867.5 |
-6.2 |
0.405 |
8 |
0 |
0 |
0.068 |
4 |
6 |
|
H |
68 |
19 |
13068 |
◊ |
A |
x,y,z |
1_555 |
67 |
20 |
14924 |
622.3 |
-3.5 |
0.464 |
7 |
0 |
0 |
0.095 |
7 |
|
F |
67 |
19 |
12365 |
◊ |
C |
x,y,z |
1_555 |
69 |
17 |
15029 |
582.8 |
-3.1 |
0.579 |
9 |
0 |
0 |
0.095 |
Average: |
602.5 |
-3.3 |
0.522 |
8 |
0 |
0 |
0.095 |
5 |
8 |
|
G |
65 |
16 |
11834 |
◊ |
A |
x,y,z |
1_555 |
70 |
17 |
14924 |
595.3 |
-1.9 |
0.599 |
11 |
2 |
0 |
0.102 |
9 |
|
E |
62 |
16 |
10767 |
◊ |
C |
x,y,z |
1_555 |
69 |
16 |
15029 |
590.7 |
-2.3 |
0.657 |
11 |
3 |
0 |
0.102 |
Average: |
593.0 |
-2.1 |
0.628 |
11 |
3 |
0 |
0.102 |
6 |
10 |
|
C |
56 |
14 |
15029 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
66 |
15 |
14924 |
569.9 |
-3.3 |
0.271 |
3 |
4 |
0 |
0.039 |
7 |
11 |
|
G |
59 |
17 |
11834 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
43 |
12 |
15029 |
454.0 |
-6.3 |
0.132 |
7 |
0 |
0 |
0.000 |
12 |
|
E |
56 |
18 |
10767 |
◊ |
A |
-x,y,-z |
2_555 |
39 |
12 |
14924 |
435.1 |
-6.2 |
0.106 |
7 |
0 |
0 |
0.000 |
Average: |
444.6 |
-6.2 |
0.119 |
7 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
41 |
12 |
15029 |
◊ |
F |
-x-1/2,y-1/2,-z-1 |
4_444 |
38 |
13 |
12365 |
373.9 |
1.3 |
0.808 |
6 |
6 |
0 |
0.000 |
9 |
14 |
|
D |
36 |
14 |
6634 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
35 |
12 |
14924 |
311.7 |
-1.9 |
0.373 |
2 |
0 |
0 |
0.021 |
10 |
15 |
|
G |
29 |
9 |
11834 |
x |
G |
-x-1/2,y-1/2,-z |
4_445 |
32 |
9 |
11834 |
263.4 |
3.3 |
0.864 |
5 |
0 |
0 |
0.000 |
11 |
16 |
|
H |
28 |
10 |
13068 |
◊ |
E |
x,y,z |
1_555 |
24 |
9 |
10767 |
242.2 |
-1.3 |
0.559 |
2 |
1 |
0 |
0.001 |
12 |
17 |
|
[7WO]C:301 |
12 |
1 |
320 |
cf |
C |
x,y,z |
1_555 |
35 |
12 |
15029 |
191.5 |
4.7 |
0.433 |
1 |
0 |
0 |
0.000 |
18 |
|
[7WO]A:301 |
12 |
1 |
317 |
cf |
A |
x,y,z |
1_555 |
35 |
12 |
14924 |
182.3 |
4.5 |
0.411 |
1 |
0 |
0 |
0.000 |
Average: |
186.9 |
4.6 |
0.422 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
G |
21 |
6 |
11834 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
15029 |
190.0 |
-1.6 |
0.392 |
0 |
2 |
0 |
0.014 |
14 |
20 |
|
F |
24 |
9 |
12365 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
15 |
7 |
15029 |
153.8 |
-1.4 |
0.439 |
0 |
0 |
0 |
0.011 |
15 |
21 |
|
F |
17 |
7 |
12365 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
19 |
5 |
14924 |
149.6 |
0.6 |
0.750 |
5 |
0 |
0 |
0.012 |
16 |
22 |
|
G |
13 |
4 |
11834 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
15 |
4 |
13068 |
130.3 |
-1.1 |
0.439 |
0 |
1 |
0 |
0.000 |
17 |
23 |
|
[GOL]C:302 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
15029 |
112.9 |
-0.2 |
0.619 |
3 |
0 |
0 |
0.046 |
18 |
24 |
|
[GOL]A:302 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
14924 |
107.0 |
-0.3 |
0.567 |
4 |
0 |
0 |
0.056 |
19 |
25 |
|
[GOL]B:101 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
14924 |
101.3 |
-0.8 |
0.504 |
0 |
0 |
0 |
0.021 |
20 |
26 |
|
[GOL]D:103 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
6634 |
97.4 |
-0.4 |
0.484 |
4 |
0 |
0 |
0.066 |
21 |
27 |
|
G |
6 |
2 |
11834 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
11 |
4 |
6634 |
83.0 |
0.7 |
0.702 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[GOL]D:102 |
5 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
6634 |
82.8 |
0.6 |
0.701 |
5 |
0 |
0 |
0.012 |
23 |
29 |
|
[GOL]D:102 |
6 |
1 |
214 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
18 |
6 |
14924 |
82.2 |
-0.5 |
0.523 |
3 |
0 |
0 |
0.050 |
24 |
30 |
|
H |
8 |
2 |
13068 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
2 |
14924 |
75.6 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
H |
11 |
4 |
13068 |
x |
H |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
13068 |
73.1 |
0.9 |
0.791 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[GOL]B:101 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6380 |
70.2 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.005 |
27 |
33 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
14924 |
67.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.262 |
28 |
34 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
15029 |
63.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.265 |
35 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14924 |
63.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.265 |
Average: |
63.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.265 |
29 |
36 |
|
[NA]D:101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
6634 |
63.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.283 |
30 |
37 |
|
[NA]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
12365 |
63.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.187 |
38 |
|
[NA]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
13068 |
62.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
63.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.187 |
31 |
39 |
|
F |
6 |
2 |
12365 |
x |
F |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
3 |
12365 |
57.8 |
-0.3 |
0.563 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[GOL]D:103 |
3 |
1 |
219 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
9 |
4 |
14924 |
57.7 |
-0.0 |
0.557 |
3 |
0 |
0 |
0.010 |
33 |
41 |
|
C |
5 |
3 |
15029 |
◊ |
E |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
2 |
10767 |
55.2 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
E |
5 |
2 |
10767 |
◊ |
B |
-x,y,-z |
2_555 |
7 |
2 |
6380 |
39.2 |
0.6 |
0.748 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
D |
4 |
2 |
6634 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
6380 |
36.8 |
0.5 |
0.295 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[GOL]A:302 |
4 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
11834 |
28.5 |
-0.4 |
0.515 |
0 |
0 |
0 |
0.004 |
37 |
45 |
|
G |
2 |
1 |
11834 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6634 |
27.5 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[GOL]A:302 |
3 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
13068 |
27.3 |
0.4 |
0.723 |
1 |
0 |
0 |
0.000 |
39 |
47 |
|
[GOL]C:302 |
3 |
1 |
218 |
f |
[7WO]C:301 |
x,y,z |
1_555 |
2 |
1 |
320 |
24.2 |
1.1 |
0.500 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[GOL]C:302 |
3 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10767 |
23.4 |
0.2 |
0.631 |
1 |
0 |
0 |
0.004 |
41 |
49 |
|
[GOL]A:302 |
3 |
1 |
216 |
f |
[7WO]A:301 |
x,y,z |
1_555 |
2 |
1 |
317 |
22.6 |
0.5 |
0.391 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[7WO]C:301 |
x,y,z |
1_555 |
2 |
1 |
320 |
19.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.037 |
51 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[7WO]A:301 |
x,y,z |
1_555 |
2 |
1 |
317 |
19.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
19.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.037 |
43 |
52 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
2 |
1 |
216 |
19.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.054 |
53 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[GOL]C:302 |
x,y,z |
1_555 |
2 |
1 |
218 |
19.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
19.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.054 |
44 |
54 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
11834 |
18.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
45 |
55 |
|
[GOL]D:103 |
2 |
1 |
219 |
◊ |
[GOL]D:102 |
x,y,z |
1_555 |
1 |
1 |
214 |
16.8 |
-0.1 |
0.456 |
0 |
0 |
0 |
0.000 |
46 |
56 |
|
[7WO]A:301 |
3 |
1 |
317 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
11834 |
16.1 |
0.7 |
0.372 |
0 |
0 |
0 |
0.000 |
57 |
|
[7WO]C:301 |
2 |
1 |
320 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
10767 |
4.0 |
0.2 |
0.293 |
0 |
0 |
0 |
0.000 |
Average: |
10.1 |
0.4 |
0.333 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[GOL]C:302 |
2 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12365 |
8.0 |
-0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
H |
1 |
1 |
13068 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6634 |
4.6 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
|