| ## |
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 |
124 |
33 |
10118 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
10074 |
1229.7 |
-18.6 |
0.089 |
18 |
4 |
0 |
0.918 |
2 |
|
D |
122 |
34 |
10029 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
127 |
35 |
10111 |
1202.6 |
-18.9 |
0.095 |
17 |
4 |
0 |
0.918 |
| Average: |
1216.2 |
-18.7 |
0.092 |
18 |
4 |
0 |
0.918 |
| 2 |
3 |
|
D |
72 |
22 |
10029 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
10074 |
617.9 |
-0.8 |
0.835 |
9 |
1 |
0 |
0.000 |
| 3 |
4 |
|
C |
32 |
13 |
10111 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
12 |
10074 |
312.9 |
-3.0 |
0.444 |
4 |
2 |
0 |
0.000 |
5 |
|
D |
30 |
8 |
10029 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
29 |
12 |
10118 |
290.4 |
-3.0 |
0.353 |
3 |
2 |
0 |
0.000 |
6 |
|
D |
30 |
13 |
10029 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
32 |
9 |
10118 |
288.3 |
-3.7 |
0.310 |
3 |
2 |
0 |
0.000 |
7 |
|
C |
28 |
11 |
10111 |
◊ |
A |
x,y,z |
1_555 |
34 |
14 |
10074 |
275.7 |
-3.5 |
0.371 |
3 |
1 |
0 |
0.000 |
| Average: |
291.8 |
-3.3 |
0.370 |
3 |
2 |
0 |
0.000 |
| 4 |
8 |
|
[GSH]D:301 |
20 |
1 |
513 |
f |
D |
x,y,z |
1_555 |
44 |
17 |
10029 |
311.4 |
-2.7 |
0.784 |
10 |
0 |
0 |
0.480 |
9 |
|
[GSH]A:301 |
20 |
1 |
504 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
10074 |
308.0 |
-2.5 |
0.777 |
10 |
0 |
0 |
0.480 |
10 |
|
[GSH]B:301 |
20 |
1 |
506 |
f |
B |
x,y,z |
1_555 |
46 |
16 |
10118 |
307.5 |
-1.7 |
0.790 |
10 |
0 |
0 |
0.480 |
11 |
|
[GSH]C:301 |
20 |
1 |
506 |
f |
C |
x,y,z |
1_555 |
42 |
14 |
10111 |
304.6 |
-2.6 |
0.777 |
10 |
0 |
0 |
0.480 |
| Average: |
307.9 |
-2.3 |
0.782 |
10 |
0 |
0 |
0.480 |
| 5 |
12 |
|
D |
24 |
9 |
10029 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
7 |
10074 |
187.3 |
-0.7 |
0.660 |
0 |
0 |
0 |
0.000 |
| 6 |
13 |
|
A |
21 |
6 |
10074 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
17 |
4 |
10118 |
169.9 |
-1.5 |
0.507 |
0 |
2 |
0 |
0.000 |
| 7 |
14 |
|
[PGE]C:303 |
10 |
1 |
331 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
10111 |
165.9 |
5.9 |
0.342 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[MES]D:302 |
11 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
31 |
12 |
10029 |
161.2 |
4.5 |
0.251 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[MES]B:302 |
11 |
1 |
343 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
10118 |
158.2 |
4.2 |
0.209 |
0 |
0 |
0 |
0.000 |
17 |
|
[MES]C:302 |
12 |
1 |
345 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
10111 |
157.1 |
4.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| Average: |
157.7 |
4.2 |
0.172 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[MES]A:302 |
10 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
10074 |
157.1 |
4.5 |
0.323 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[PGE]D:304 |
10 |
1 |
324 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
10029 |
155.5 |
4.8 |
0.297 |
2 |
0 |
0 |
0.000 |
| 12 |
20 |
|
B |
19 |
4 |
10118 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
10074 |
155.3 |
-0.1 |
0.709 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[MES]B:303 |
12 |
1 |
339 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
10118 |
153.0 |
4.1 |
0.159 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[MES]D:303 |
10 |
1 |
338 |
◊ |
D |
x,y,z |
1_555 |
29 |
8 |
10029 |
152.8 |
4.4 |
0.241 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
D |
17 |
4 |
10029 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
10111 |
142.0 |
0.2 |
0.759 |
3 |
0 |
0 |
0.000 |
| 16 |
24 |
|
D |
9 |
2 |
10029 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
3 |
10111 |
88.8 |
0.2 |
0.645 |
1 |
1 |
0 |
0.000 |
| 17 |
25 |
|
[O7Z]D:305 |
5 |
1 |
193 |
f |
C |
-x,y-1/2,-z+1 |
2_546 |
20 |
7 |
10111 |
88.4 |
-0.8 |
0.454 |
0 |
0 |
0 |
0.028 |
| 18 |
26 |
|
[O7Z]A:303 |
5 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10074 |
85.4 |
0.0 |
0.525 |
3 |
0 |
0 |
0.037 |
| 19 |
27 |
|
C |
6 |
2 |
10111 |
◊ |
D |
x-1,y+1,z |
1_465 |
10 |
3 |
10029 |
81.6 |
1.6 |
0.890 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[O7Z]A:303 |
5 |
1 |
193 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
10029 |
73.6 |
0.8 |
0.596 |
2 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[MES]B:303 |
7 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
10074 |
71.9 |
0.8 |
0.049 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[O7Z]B:304 |
4 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10118 |
60.6 |
-0.1 |
0.526 |
1 |
0 |
0 |
0.015 |
| 23 |
31 |
|
[MES]D:303 |
7 |
1 |
338 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
10111 |
58.5 |
0.8 |
0.018 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
C |
7 |
2 |
10111 |
f |
[MES]A:302 |
x-1,y,z |
1_455 |
4 |
1 |
342 |
55.6 |
1.3 |
0.310 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
A |
7 |
2 |
10074 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
1 |
10118 |
51.0 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[MES]C:302 |
3 |
1 |
345 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10074 |
49.8 |
1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
7 |
2 |
10029 |
f |
[MES]B:302 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
343 |
46.3 |
1.0 |
0.379 |
0 |
0 |
0 |
0.000 |
| Average: |
48.0 |
1.0 |
0.382 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[MES]D:302 |
4 |
1 |
343 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
10118 |
49.0 |
1.0 |
0.249 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
B |
8 |
4 |
10118 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
6 |
3 |
10111 |
45.0 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[O7Z]B:304 |
4 |
1 |
193 |
◊ |
[MES]B:302 |
x,y,z |
1_555 |
6 |
1 |
343 |
44.6 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[O7Z]D:305 |
4 |
1 |
193 |
◊ |
[MES]D:303 |
x,y,z |
1_555 |
4 |
1 |
338 |
40.8 |
0.6 |
0.039 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[MES]D:303 |
3 |
1 |
338 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
10111 |
40.0 |
0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[GSH]B:301 |
3 |
1 |
506 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10074 |
37.8 |
0.2 |
0.713 |
1 |
0 |
0 |
0.016 |
42 |
|
D |
4 |
2 |
10029 |
◊ |
[GSH]C:301 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
506 |
37.5 |
0.2 |
0.706 |
1 |
0 |
0 |
0.016 |
43 |
|
[GSH]D:301 |
3 |
1 |
513 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
10111 |
37.2 |
0.2 |
0.718 |
1 |
0 |
0 |
0.016 |
44 |
|
[GSH]A:301 |
3 |
1 |
504 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10118 |
36.9 |
0.2 |
0.723 |
1 |
0 |
0 |
0.016 |
| Average: |
37.4 |
0.2 |
0.715 |
1 |
0 |
0 |
0.016 |
| 33 |
45 |
|
[O7Z]D:305 |
4 |
1 |
193 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
10029 |
28.2 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.004 |
| 34 |
46 |
|
C |
3 |
2 |
10111 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
3 |
10029 |
12.7 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
C |
1 |
1 |
10111 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
10111 |
3.6 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
|