## |
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 |
|
D |
127 |
33 |
10173 |
◊ |
C |
x,y,z |
1_555 |
127 |
31 |
10246 |
1317.6 |
-18.1 |
0.181 |
7 |
0 |
0 |
0.648 |
2 |
|
B |
124 |
31 |
10014 |
◊ |
A |
x,y,z |
1_555 |
132 |
32 |
10042 |
1314.8 |
-18.4 |
0.163 |
7 |
0 |
0 |
0.648 |
Average: |
1316.2 |
-18.3 |
0.172 |
7 |
0 |
0 |
0.648 |
2 |
3 |
|
B |
49 |
15 |
10014 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
14 |
10042 |
492.4 |
-3.3 |
0.629 |
3 |
4 |
0 |
0.000 |
3 |
4 |
|
D |
42 |
13 |
10173 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
44 |
13 |
10042 |
402.2 |
-4.7 |
0.413 |
1 |
5 |
0 |
0.000 |
5 |
|
C |
42 |
12 |
10246 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
43 |
13 |
10014 |
395.7 |
-4.2 |
0.487 |
1 |
4 |
0 |
0.000 |
Average: |
399.0 |
-4.5 |
0.450 |
1 |
5 |
0 |
0.000 |
4 |
6 |
|
[12P]B:301 |
21 |
1 |
923 |
f |
B |
x,y,z |
1_555 |
50 |
14 |
10014 |
330.4 |
-6.3 |
0.267 |
0 |
0 |
0 |
0.206 |
7 |
|
[12P]D:301 |
21 |
1 |
952 |
f |
D |
x,y,z |
1_555 |
48 |
14 |
10173 |
329.3 |
-6.7 |
0.248 |
0 |
0 |
0 |
0.206 |
Average: |
329.8 |
-6.5 |
0.258 |
0 |
0 |
0 |
0.206 |
5 |
8 |
|
[12P]D:301 |
20 |
1 |
952 |
◊ |
C |
x,y,z |
1_555 |
44 |
14 |
10246 |
320.5 |
1.3 |
0.707 |
0 |
0 |
0 |
0.000 |
9 |
|
[12P]B:301 |
22 |
1 |
923 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
10042 |
318.1 |
1.2 |
0.698 |
0 |
0 |
0 |
0.000 |
Average: |
319.3 |
1.2 |
0.702 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[GSH]D:302 |
19 |
1 |
509 |
f |
D |
x,y,z |
1_555 |
39 |
15 |
10173 |
300.7 |
-3.0 |
0.754 |
7 |
0 |
0 |
0.368 |
11 |
|
[GSH]C:301 |
19 |
1 |
507 |
f |
C |
x,y,z |
1_555 |
40 |
15 |
10246 |
298.3 |
-3.3 |
0.767 |
6 |
0 |
0 |
0.368 |
12 |
|
[GSH]A:301 |
19 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
39 |
15 |
10042 |
296.5 |
-2.6 |
0.790 |
7 |
0 |
0 |
0.368 |
13 |
|
[GSH]B:302 |
19 |
1 |
505 |
f |
B |
x,y,z |
1_555 |
39 |
15 |
10014 |
296.4 |
-3.2 |
0.758 |
7 |
0 |
0 |
0.368 |
Average: |
298.0 |
-3.0 |
0.768 |
7 |
0 |
0 |
0.368 |
7 |
14 |
|
B |
25 |
10 |
10014 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
34 |
13 |
10042 |
253.1 |
-2.6 |
0.384 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
30 |
12 |
10246 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
24 |
10 |
10173 |
228.3 |
-2.2 |
0.421 |
2 |
0 |
0 |
0.000 |
Average: |
240.7 |
-2.4 |
0.403 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
C |
29 |
10 |
10246 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
11 |
10042 |
243.2 |
-1.2 |
0.673 |
0 |
3 |
0 |
0.000 |
17 |
|
D |
27 |
10 |
10173 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
29 |
12 |
10014 |
234.6 |
-0.9 |
0.724 |
1 |
2 |
0 |
0.000 |
Average: |
238.9 |
-1.1 |
0.699 |
1 |
3 |
0 |
0.000 |
9 |
18 |
|
[PG4]B:303 |
13 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
10014 |
168.3 |
3.4 |
0.310 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
D |
16 |
7 |
10173 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
10014 |
158.1 |
-1.9 |
0.431 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
13 |
4 |
10246 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
14 |
4 |
10014 |
153.9 |
1.6 |
0.906 |
1 |
0 |
0 |
0.000 |
21 |
|
D |
14 |
4 |
10173 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
14 |
4 |
10042 |
152.4 |
1.7 |
0.914 |
1 |
0 |
0 |
0.000 |
Average: |
153.1 |
1.7 |
0.910 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
[PGE]D:303 |
10 |
1 |
328 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
10173 |
145.5 |
4.6 |
0.360 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
D |
16 |
8 |
10173 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
7 |
10246 |
132.1 |
-0.8 |
0.632 |
0 |
4 |
0 |
0.000 |
14 |
24 |
|
[GOL]B:304 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10014 |
122.5 |
-1.0 |
0.472 |
0 |
0 |
0 |
0.024 |
15 |
25 |
|
[GOL]A:302 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
10042 |
122.5 |
-0.8 |
0.489 |
2 |
0 |
0 |
0.042 |
16 |
26 |
|
[GOL]C:302 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
10246 |
111.3 |
-0.2 |
0.579 |
1 |
0 |
0 |
0.019 |
17 |
27 |
|
[GOL]D:304 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
10173 |
110.0 |
-0.3 |
0.582 |
1 |
0 |
0 |
0.023 |
18 |
28 |
|
D |
13 |
6 |
10173 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
11 |
5 |
10246 |
101.2 |
-2.0 |
0.338 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
11 |
4 |
10042 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
5 |
10014 |
90.8 |
-1.6 |
0.369 |
0 |
0 |
0 |
0.000 |
Average: |
96.0 |
-1.8 |
0.354 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[GSH]D:302 |
5 |
1 |
509 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
10246 |
47.5 |
0.7 |
0.810 |
0 |
0 |
0 |
0.000 |
31 |
|
[GSH]C:301 |
5 |
1 |
507 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
10173 |
46.6 |
0.6 |
0.827 |
0 |
0 |
0 |
0.000 |
32 |
|
[GSH]B:302 |
4 |
1 |
505 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
10042 |
46.3 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
33 |
|
[GSH]A:301 |
5 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
10014 |
45.6 |
0.6 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
46.5 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
C |
3 |
2 |
10246 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10042 |
40.0 |
-1.3 |
0.175 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[MG]A:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10042 |
38.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[MG]B:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10014 |
37.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
5 |
2 |
10173 |
◊ |
[MG]A:303 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
98 |
37.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
C |
5 |
2 |
10246 |
◊ |
[MG]B:305 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
37.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
[GOL]D:304 |
4 |
1 |
218 |
◊ |
[GOL]C:302 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
37.3 |
0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[GOL]D:304 |
4 |
1 |
218 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
4 |
10246 |
33.1 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
C |
6 |
2 |
10246 |
f |
[PG4]B:303 |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
412 |
33.0 |
0.3 |
0.378 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[PGE]D:303 |
5 |
1 |
328 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
10246 |
31.7 |
1.2 |
0.248 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[PG4]B:303 |
3 |
1 |
412 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10042 |
31.3 |
1.3 |
0.481 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
D |
4 |
3 |
10173 |
◊ |
[GOL]C:302 |
x-1,y,z |
1_455 |
5 |
1 |
217 |
30.6 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[12P]D:301 |
2 |
1 |
952 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
10246 |
26.1 |
-0.4 |
0.333 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
2 |
1 |
10042 |
◊ |
[12P]B:301 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
923 |
20.4 |
-0.5 |
0.361 |
0 |
0 |
0 |
0.000 |
Average: |
23.3 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
D |
6 |
2 |
10173 |
x |
D |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
10173 |
19.2 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
2 |
1 |
10014 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
10014 |
15.7 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
17.4 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
|