## |
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 |
77 |
22 |
9520 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
79 |
19 |
9683 |
708.6 |
-6.6 |
0.167 |
5 |
0 |
0 |
0.079 |
2 |
2 |
|
B |
69 |
22 |
9372 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
9683 |
641.9 |
0.7 |
0.700 |
16 |
0 |
0 |
0.061 |
3 |
|
D |
61 |
17 |
9520 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
69 |
20 |
9595 |
539.3 |
-1.7 |
0.501 |
11 |
0 |
0 |
0.061 |
Average: |
590.6 |
-0.5 |
0.600 |
14 |
0 |
0 |
0.061 |
3 |
4 |
|
C |
56 |
15 |
9595 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
9683 |
519.7 |
-0.7 |
0.580 |
5 |
0 |
0 |
0.014 |
4 |
5 |
|
C |
61 |
18 |
9595 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
9372 |
508.4 |
-4.4 |
0.249 |
2 |
0 |
0 |
0.025 |
5 |
6 |
|
A |
49 |
14 |
9683 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
51 |
17 |
9372 |
440.4 |
-2.7 |
0.381 |
7 |
0 |
0 |
0.037 |
6 |
7 |
|
B |
45 |
14 |
9372 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
16 |
9520 |
402.0 |
-1.3 |
0.485 |
5 |
0 |
0 |
0.023 |
7 |
8 |
|
D |
41 |
15 |
9520 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
9683 |
344.7 |
-2.1 |
0.384 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
D |
29 |
10 |
9520 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
9595 |
322.3 |
-0.2 |
0.587 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
30 |
10 |
9683 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
10 |
9372 |
289.8 |
-1.3 |
0.465 |
6 |
0 |
0 |
0.000 |
10 |
11 |
|
D |
25 |
7 |
9520 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
8 |
9595 |
217.5 |
-1.3 |
0.366 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
C |
23 |
9 |
9595 |
x |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
22 |
8 |
9595 |
198.5 |
-0.8 |
0.497 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
C |
21 |
5 |
9595 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
18 |
7 |
9372 |
190.6 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[BEN]A:246 |
9 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
33 |
16 |
9683 |
177.5 |
4.8 |
0.437 |
4 |
0 |
0 |
0.000 |
15 |
|
[BEN]C:246 |
9 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
33 |
16 |
9595 |
177.5 |
4.8 |
0.436 |
4 |
0 |
0 |
0.000 |
16 |
|
[BEN]B:246 |
9 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
34 |
17 |
9372 |
174.5 |
4.6 |
0.440 |
4 |
0 |
0 |
0.000 |
17 |
|
[BEN]D:246 |
9 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
33 |
16 |
9520 |
172.9 |
4.4 |
0.382 |
4 |
0 |
0 |
0.000 |
Average: |
175.6 |
4.6 |
0.424 |
4 |
0 |
0 |
0.000 |
14 |
18 |
|
D |
21 |
5 |
9520 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
7 |
9372 |
176.6 |
0.1 |
0.585 |
4 |
0 |
0 |
0.008 |
15 |
19 |
|
[SO4]C:248 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
9595 |
104.8 |
-14.7 |
0.773 |
3 |
0 |
0 |
0.076 |
16 |
20 |
|
A |
12 |
4 |
9683 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
2 |
9595 |
99.3 |
1.0 |
0.608 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]A:248 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9683 |
97.8 |
-14.6 |
0.739 |
5 |
0 |
0 |
0.150 |
18 |
22 |
|
[SO4]C:249 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
9595 |
91.7 |
-13.6 |
0.800 |
5 |
0 |
0 |
0.075 |
19 |
23 |
|
[SO4]B:248 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9372 |
90.0 |
-13.0 |
0.783 |
3 |
0 |
0 |
0.093 |
20 |
24 |
|
[SO4]B:249 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
9372 |
85.7 |
-12.7 |
0.783 |
6 |
0 |
0 |
0.099 |
21 |
25 |
|
[SO4]D:249 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
9520 |
85.5 |
-12.4 |
0.762 |
5 |
0 |
0 |
0.131 |
22 |
26 |
|
[SO4]A:249 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9683 |
84.2 |
-12.2 |
0.787 |
6 |
0 |
0 |
0.133 |
23 |
27 |
|
A |
10 |
3 |
9683 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
3 |
9520 |
83.3 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[SO4]D:248 |
5 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
9520 |
80.1 |
-11.7 |
0.767 |
4 |
0 |
0 |
0.120 |
25 |
29 |
|
[SO4]D:251 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
9520 |
73.1 |
-9.8 |
0.835 |
4 |
0 |
0 |
0.103 |
26 |
30 |
|
[SO4]D:250 |
4 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
9683 |
57.4 |
-7.3 |
0.715 |
3 |
0 |
0 |
0.078 |
27 |
31 |
|
[SO4]D:250 |
4 |
1 |
183 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
9595 |
53.9 |
-6.6 |
0.881 |
3 |
0 |
0 |
0.038 |
28 |
32 |
|
[CA]A:247 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
9683 |
43.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.112 |
29 |
33 |
|
[SO4]D:250 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
9520 |
38.2 |
-4.5 |
0.802 |
1 |
0 |
0 |
0.044 |
30 |
34 |
|
[SO4]D:251 |
4 |
1 |
183 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
9595 |
37.5 |
-3.8 |
0.783 |
1 |
0 |
0 |
0.020 |
31 |
35 |
|
B |
5 |
3 |
9372 |
◊ |
[SO4]D:249 |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
183 |
37.3 |
-3.9 |
0.931 |
2 |
0 |
0 |
0.031 |
32 |
36 |
|
[SO4]D:248 |
4 |
1 |
180 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
9683 |
33.5 |
-2.9 |
0.892 |
1 |
0 |
0 |
0.030 |
33 |
37 |
|
[BEN]D:246 |
3 |
1 |
277 |
f |
[SO4]D:248 |
x,y,z |
1_555 |
4 |
1 |
180 |
33.3 |
-2.5 |
0.439 |
0 |
0 |
0 |
0.022 |
34 |
38 |
|
[BEN]B:246 |
3 |
1 |
279 |
f |
[SO4]B:248 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.7 |
-2.5 |
0.438 |
0 |
0 |
0 |
0.016 |
35 |
39 |
|
[BEN]C:246 |
3 |
1 |
278 |
f |
[SO4]C:248 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.7 |
-2.7 |
0.394 |
0 |
0 |
0 |
0.013 |
36 |
40 |
|
[BEN]A:246 |
3 |
1 |
276 |
f |
[SO4]A:248 |
x,y,z |
1_555 |
3 |
1 |
182 |
27.2 |
-2.3 |
0.394 |
0 |
0 |
0 |
0.021 |
37 |
41 |
|
[SO4]B:248 |
2 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9595 |
26.6 |
-2.8 |
0.913 |
1 |
0 |
0 |
0.015 |
38 |
42 |
|
[SO4]D:249 |
1 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
9683 |
19.6 |
-2.3 |
0.845 |
1 |
0 |
0 |
0.024 |
39 |
43 |
|
[SO4]D:250 |
1 |
1 |
183 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
9520 |
13.8 |
-1.5 |
0.789 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
C |
2 |
2 |
9595 |
◊ |
[SO4]B:249 |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
183 |
11.5 |
-1.2 |
0.884 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
A |
1 |
1 |
9683 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
9595 |
2.3 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[SO4]D:251 |
1 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
9683 |
1.4 |
-0.1 |
0.823 |
0 |
0 |
0 |
0.001 |
|