## |
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 |
212 |
58 |
13650 |
◊ |
E |
x,y,z |
1_555 |
204 |
56 |
13450 |
1875.4 |
-8.5 |
0.806 |
31 |
8 |
0 |
1.000 |
2 |
|
B |
207 |
57 |
13682 |
◊ |
A |
x,y,z |
1_555 |
206 |
55 |
13638 |
1866.0 |
-9.8 |
0.754 |
30 |
8 |
0 |
1.000 |
Average: |
1870.7 |
-9.2 |
0.780 |
31 |
8 |
0 |
1.000 |
2 |
3 |
|
G |
84 |
24 |
6052 |
◊ |
E |
x,y,z |
1_555 |
90 |
33 |
13450 |
816.3 |
-3.0 |
0.560 |
16 |
1 |
0 |
0.465 |
4 |
|
D |
79 |
24 |
6076 |
◊ |
B |
x,y,z |
1_555 |
83 |
29 |
13682 |
788.5 |
-4.1 |
0.478 |
13 |
0 |
0 |
0.465 |
5 |
|
C |
76 |
24 |
6184 |
◊ |
A |
x,y,z |
1_555 |
86 |
30 |
13638 |
781.9 |
-2.7 |
0.576 |
15 |
1 |
0 |
0.465 |
6 |
|
H |
75 |
23 |
6004 |
◊ |
F |
x,y,z |
1_555 |
82 |
29 |
13650 |
725.8 |
-3.6 |
0.557 |
14 |
0 |
0 |
0.465 |
Average: |
778.1 |
-3.4 |
0.543 |
15 |
1 |
0 |
0.465 |
3 |
7 |
|
A |
52 |
16 |
13638 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
56 |
17 |
6076 |
523.0 |
-6.4 |
0.211 |
5 |
0 |
0 |
0.289 |
8 |
|
C |
52 |
15 |
6184 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
51 |
15 |
13450 |
513.1 |
-6.6 |
0.167 |
5 |
0 |
0 |
0.289 |
Average: |
518.1 |
-6.5 |
0.189 |
5 |
0 |
0 |
0.289 |
4 |
9 |
|
C |
48 |
20 |
6184 |
◊ |
A |
-x,y,-z+1 |
2_556 |
52 |
19 |
13638 |
455.0 |
-0.3 |
0.709 |
7 |
0 |
0 |
0.000 |
10 |
|
D |
53 |
21 |
6076 |
◊ |
E |
-x,y,-z |
2_555 |
54 |
19 |
13450 |
454.4 |
-0.4 |
0.707 |
7 |
0 |
0 |
0.000 |
11 |
|
G |
45 |
19 |
6052 |
◊ |
B |
-x,y,-z |
2_555 |
53 |
19 |
13682 |
433.1 |
0.0 |
0.758 |
9 |
0 |
0 |
0.000 |
Average: |
447.5 |
-0.2 |
0.725 |
8 |
0 |
0 |
0.000 |
5 |
12 |
|
[CHO]E:603 |
23 |
1 |
646 |
◊ |
F |
x,y,z |
1_555 |
43 |
12 |
13650 |
316.0 |
3.3 |
0.502 |
2 |
0 |
0 |
0.000 |
13 |
|
[CHO]F:900 |
23 |
1 |
642 |
◊ |
E |
x,y,z |
1_555 |
42 |
13 |
13450 |
311.2 |
3.0 |
0.464 |
2 |
0 |
0 |
0.000 |
14 |
|
[CHO]A:603 |
23 |
1 |
646 |
◊ |
B |
x,y,z |
1_555 |
39 |
12 |
13682 |
310.3 |
3.0 |
0.446 |
2 |
0 |
0 |
0.000 |
15 |
|
[CHO]B:601 |
23 |
1 |
643 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
13638 |
309.0 |
2.8 |
0.446 |
2 |
0 |
0 |
0.000 |
Average: |
311.6 |
3.0 |
0.464 |
2 |
0 |
0 |
0.000 |
6 |
16 |
|
G |
29 |
9 |
6052 |
◊ |
F |
x,y,z |
1_555 |
27 |
9 |
13650 |
277.0 |
-2.5 |
0.297 |
2 |
0 |
0 |
0.160 |
17 |
|
C |
29 |
9 |
6184 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
13682 |
274.9 |
-3.4 |
0.210 |
1 |
0 |
0 |
0.160 |
18 |
|
D |
26 |
9 |
6076 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
13638 |
270.3 |
-2.7 |
0.271 |
2 |
0 |
0 |
0.160 |
19 |
|
H |
28 |
8 |
6004 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
13450 |
252.1 |
-3.0 |
0.215 |
1 |
0 |
0 |
0.160 |
Average: |
268.6 |
-2.9 |
0.248 |
2 |
0 |
0 |
0.160 |
7 |
20 |
|
G |
34 |
14 |
6052 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
13682 |
268.5 |
-1.8 |
0.508 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
B |
24 |
9 |
13682 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
34 |
14 |
6076 |
265.3 |
-2.0 |
0.416 |
3 |
0 |
0 |
0.113 |
22 |
|
C |
37 |
14 |
6184 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
9 |
13650 |
260.0 |
-2.1 |
0.403 |
3 |
0 |
0 |
0.113 |
Average: |
262.7 |
-2.1 |
0.410 |
3 |
0 |
0 |
0.113 |
9 |
23 |
|
E |
28 |
8 |
13450 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
8 |
13682 |
238.0 |
-0.9 |
0.657 |
3 |
4 |
0 |
0.000 |
24 |
|
A |
27 |
8 |
13638 |
◊ |
A |
-x,y,-z+1 |
2_556 |
27 |
8 |
13638 |
230.4 |
-0.6 |
0.706 |
2 |
4 |
0 |
0.000 |
Average: |
234.2 |
-0.7 |
0.681 |
3 |
4 |
0 |
0.000 |
10 |
25 |
|
[CHO]F:900 |
17 |
1 |
642 |
f |
F |
x,y,z |
1_555 |
28 |
10 |
13650 |
226.7 |
0.4 |
0.309 |
3 |
0 |
0 |
0.189 |
26 |
|
[CHO]A:603 |
17 |
1 |
646 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
13638 |
225.1 |
0.3 |
0.300 |
4 |
0 |
0 |
0.189 |
27 |
|
[CHO]E:603 |
17 |
1 |
646 |
f |
E |
x,y,z |
1_555 |
27 |
9 |
13450 |
225.0 |
0.3 |
0.304 |
3 |
0 |
0 |
0.189 |
28 |
|
[CHO]B:601 |
17 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
13682 |
224.6 |
0.3 |
0.299 |
3 |
0 |
0 |
0.189 |
Average: |
225.4 |
0.3 |
0.303 |
3 |
0 |
0 |
0.189 |
11 |
29 |
|
B |
24 |
9 |
13682 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
9 |
13682 |
222.9 |
-2.6 |
0.393 |
2 |
0 |
0 |
0.000 |
12 |
30 |
|
G |
19 |
6 |
6052 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
6184 |
169.6 |
1.8 |
0.801 |
1 |
0 |
0 |
0.000 |
13 |
31 |
|
F |
21 |
8 |
13650 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13638 |
154.1 |
-1.8 |
0.446 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
B |
15 |
5 |
13682 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
15 |
5 |
13450 |
133.9 |
-1.6 |
0.419 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
14 |
5 |
13638 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
14 |
5 |
13650 |
131.8 |
-1.4 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
132.8 |
-1.5 |
0.434 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
E |
15 |
6 |
13450 |
◊ |
E |
-x,y,-z |
2_555 |
15 |
6 |
13450 |
130.9 |
0.7 |
0.813 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
[EDO]A:601 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
13638 |
108.1 |
3.6 |
0.517 |
4 |
0 |
0 |
0.000 |
17 |
36 |
|
[EDO]E:601 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
13450 |
107.6 |
3.6 |
0.519 |
5 |
0 |
0 |
0.000 |
18 |
37 |
|
[EDO]A:602 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
13638 |
95.6 |
2.3 |
0.474 |
2 |
0 |
0 |
0.000 |
19 |
38 |
|
[EDO]E:602 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
13450 |
94.3 |
2.1 |
0.466 |
1 |
0 |
0 |
0.000 |
20 |
39 |
|
[EDO]H:700 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
6004 |
93.6 |
2.9 |
0.486 |
5 |
0 |
0 |
0.000 |
21 |
40 |
|
[EDO]G:700 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
14 |
6 |
6052 |
92.0 |
2.9 |
0.477 |
3 |
0 |
0 |
0.000 |
22 |
41 |
|
[EDO]D:700 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
6076 |
91.5 |
3.1 |
0.494 |
4 |
0 |
0 |
0.000 |
23 |
42 |
|
[EDO]C:700 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
6184 |
90.7 |
3.0 |
0.482 |
4 |
0 |
0 |
0.000 |
24 |
43 |
|
[EDO]C:700 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13638 |
59.5 |
1.3 |
0.248 |
1 |
0 |
0 |
0.000 |
25 |
44 |
|
[EDO]G:700 |
3 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
13450 |
56.8 |
1.1 |
0.222 |
1 |
0 |
0 |
0.000 |
26 |
45 |
|
[EDO]D:700 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
13682 |
56.1 |
1.0 |
0.220 |
1 |
0 |
0 |
0.000 |
27 |
46 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13682 |
55.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.283 |
28 |
47 |
|
[EDO]H:700 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
13650 |
53.7 |
0.9 |
0.591 |
1 |
0 |
0 |
0.000 |
29 |
48 |
|
[EDO]E:602 |
2 |
1 |
185 |
f |
D |
-x,y,-z |
2_555 |
5 |
3 |
6076 |
30.4 |
0.5 |
0.625 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
[EDO]A:602 |
2 |
1 |
186 |
f |
C |
-x,y,-z+1 |
2_556 |
2 |
1 |
6184 |
27.4 |
0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
G |
4 |
2 |
6052 |
◊ |
D |
-x,y,-z |
2_555 |
3 |
2 |
6076 |
18.4 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
51 |
|
C |
3 |
2 |
6184 |
◊ |
C |
-x,y,-z+1 |
2_556 |
3 |
2 |
6184 |
11.5 |
-0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
Average: |
15.0 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
F |
1 |
1 |
13650 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
2 |
13638 |
17.1 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[MG]B:602 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13638 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
|