| ## |
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 |
|
E |
226 |
65 |
13989 |
◊ |
D |
x,y,z |
1_555 |
230 |
57 |
13904 |
2266.5 |
-26.0 |
0.083 |
38 |
5 |
0 |
0.967 |
2 |
|
E |
232 |
58 |
13989 |
◊ |
A |
x,y,z |
1_555 |
234 |
66 |
14003 |
2258.6 |
-25.4 |
0.105 |
34 |
4 |
0 |
0.967 |
3 |
|
C |
229 |
65 |
13822 |
◊ |
B |
x,y,z |
1_555 |
233 |
57 |
13933 |
2258.3 |
-24.0 |
0.126 |
34 |
5 |
0 |
0.967 |
4 |
|
B |
228 |
65 |
13933 |
◊ |
A |
x,y,z |
1_555 |
236 |
58 |
14003 |
2255.9 |
-26.1 |
0.106 |
37 |
5 |
0 |
0.967 |
5 |
|
D |
226 |
65 |
13904 |
◊ |
C |
x,y,z |
1_555 |
241 |
58 |
13822 |
2254.8 |
-24.6 |
0.110 |
37 |
4 |
0 |
0.967 |
| Average: |
2258.8 |
-25.2 |
0.106 |
36 |
5 |
0 |
0.967 |
| 2 |
6 |
|
E |
38 |
11 |
13989 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
38 |
10 |
13904 |
310.8 |
0.7 |
0.781 |
9 |
2 |
0 |
0.044 |
7 |
|
B |
39 |
12 |
13933 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
39 |
12 |
13933 |
294.1 |
-0.6 |
0.713 |
8 |
2 |
0 |
0.044 |
8 |
|
C |
36 |
9 |
13822 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
35 |
11 |
14003 |
290.6 |
0.5 |
0.768 |
10 |
2 |
0 |
0.044 |
| Average: |
298.5 |
0.2 |
0.754 |
9 |
2 |
0 |
0.044 |
| 3 |
9 |
|
E |
26 |
8 |
13989 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
16 |
6 |
13933 |
202.6 |
1.2 |
0.813 |
4 |
6 |
0 |
0.000 |
| 4 |
10 |
|
[GOL]C:1 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
13822 |
129.3 |
-0.6 |
0.592 |
5 |
0 |
0 |
0.161 |
11 |
|
[GOL]D:2 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
13904 |
124.2 |
-0.4 |
0.590 |
6 |
0 |
0 |
0.161 |
| Average: |
126.7 |
-0.5 |
0.591 |
6 |
0 |
0 |
0.161 |
| 5 |
12 |
|
[GOL]B:5 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13933 |
129.2 |
-0.5 |
0.608 |
6 |
0 |
0 |
0.154 |
| 6 |
13 |
|
[GOL]A:4 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
14003 |
125.1 |
-0.4 |
0.594 |
5 |
0 |
0 |
0.100 |
| 7 |
14 |
|
E |
17 |
7 |
13989 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
14003 |
116.8 |
1.3 |
0.825 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[GOL]E:3 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
24 |
9 |
13989 |
104.9 |
0.2 |
0.675 |
7 |
0 |
0 |
0.331 |
| 9 |
16 |
|
[EDO]D:1 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
13904 |
97.8 |
2.5 |
0.449 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]C:290 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
13822 |
97.2 |
2.6 |
0.458 |
2 |
0 |
0 |
0.000 |
| Average: |
97.5 |
2.6 |
0.454 |
2 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[EDO]A:1 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
14003 |
96.3 |
2.6 |
0.452 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[EDO]E:1 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
13989 |
95.2 |
2.0 |
0.255 |
3 |
0 |
0 |
0.000 |
| 12 |
20 |
|
D |
10 |
3 |
13904 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
13933 |
92.8 |
1.7 |
0.861 |
0 |
2 |
0 |
0.000 |
| 13 |
21 |
|
D |
9 |
4 |
13904 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
12 |
5 |
14003 |
87.4 |
0.8 |
0.673 |
1 |
0 |
0 |
0.000 |
22 |
|
C |
8 |
4 |
13822 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
10 |
4 |
13989 |
80.7 |
0.8 |
0.659 |
1 |
0 |
0 |
0.000 |
| Average: |
84.1 |
0.8 |
0.666 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EDO]A:290 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14003 |
69.5 |
0.9 |
0.592 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[GOL]E:3 |
4 |
1 |
216 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
13933 |
41.5 |
-0.7 |
0.341 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[GOL]B:5 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
14003 |
38.4 |
-0.2 |
0.565 |
1 |
0 |
0 |
0.007 |
26 |
|
[GOL]C:1 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13933 |
36.9 |
0.0 |
0.652 |
2 |
0 |
0 |
0.007 |
| Average: |
37.6 |
-0.1 |
0.609 |
2 |
0 |
0 |
0.007 |
| 17 |
27 |
|
[GOL]A:4 |
4 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
13989 |
35.4 |
0.1 |
0.657 |
2 |
0 |
0 |
0.004 |
| 18 |
28 |
|
[GOL]D:2 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13822 |
33.8 |
0.2 |
0.653 |
2 |
0 |
0 |
0.003 |
| 19 |
29 |
|
[GOL]E:3 |
4 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
13904 |
32.2 |
0.1 |
0.660 |
2 |
0 |
0 |
0.004 |
| 20 |
30 |
|
[GOL]E:3 |
2 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
14003 |
25.6 |
0.3 |
0.614 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[EDO]A:290 |
2 |
1 |
184 |
f |
[EDO]A:1 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.9 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
D |
2 |
2 |
13904 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
13822 |
19.7 |
-0.6 |
0.297 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[EDO]D:1 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
13822 |
17.6 |
1.1 |
0.960 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]C:290 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13933 |
16.7 |
1.1 |
0.966 |
0 |
0 |
0 |
0.000 |
| Average: |
17.2 |
1.1 |
0.963 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[EDO]A:1 |
1 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
13989 |
11.0 |
1.0 |
0.974 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[EDO]E:1 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
13904 |
9.0 |
0.2 |
0.868 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
D |
3 |
1 |
13904 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
14003 |
4.8 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[EDO]A:290 |
1 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
13989 |
1.8 |
0.1 |
0.841 |
0 |
0 |
0 |
0.000 |
|