## |
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 |
133 |
37 |
5887 |
◊ |
A |
x,y,z |
1_555 |
136 |
37 |
6016 |
1263.1 |
-18.9 |
0.021 |
10 |
0 |
0 |
0.284 |
2 |
|
C |
130 |
36 |
5849 |
◊ |
B |
x,y,z |
1_555 |
129 |
35 |
5910 |
1258.6 |
-17.4 |
0.035 |
13 |
0 |
0 |
0.284 |
Average: |
1260.9 |
-18.2 |
0.028 |
12 |
0 |
0 |
0.284 |
2 |
3 |
|
C |
49 |
14 |
5849 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
6016 |
481.1 |
-1.1 |
0.597 |
12 |
0 |
0 |
0.071 |
4 |
|
D |
51 |
14 |
5887 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
5910 |
479.8 |
-1.3 |
0.582 |
12 |
0 |
0 |
0.071 |
Average: |
480.4 |
-1.2 |
0.590 |
12 |
0 |
0 |
0.071 |
3 |
5 |
|
B |
42 |
15 |
5910 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
13 |
5887 |
382.2 |
-1.8 |
0.501 |
9 |
0 |
0 |
0.081 |
4 |
6 |
|
A |
35 |
13 |
6016 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
5849 |
292.2 |
1.9 |
0.857 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
23 |
8 |
6016 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
29 |
11 |
5910 |
249.8 |
-0.9 |
0.543 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
24 |
10 |
5910 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
6016 |
211.1 |
-2.3 |
0.296 |
2 |
4 |
0 |
0.039 |
9 |
|
D |
24 |
11 |
5887 |
◊ |
C |
x,y,z |
1_555 |
22 |
11 |
5849 |
202.5 |
-2.1 |
0.318 |
2 |
3 |
0 |
0.039 |
Average: |
206.8 |
-2.2 |
0.307 |
2 |
4 |
0 |
0.039 |
7 |
10 |
|
A |
22 |
7 |
6016 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
9 |
5887 |
204.3 |
2.0 |
0.882 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
[GXL]B:502 |
12 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
5910 |
152.6 |
1.9 |
0.281 |
2 |
0 |
0 |
0.000 |
12 |
|
[GXL]C:503 |
11 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
5849 |
151.1 |
2.0 |
0.303 |
2 |
0 |
0 |
0.000 |
13 |
|
[GXL]D:504 |
11 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
5887 |
150.0 |
2.0 |
0.322 |
2 |
0 |
0 |
0.000 |
14 |
|
[GXL]A:501 |
12 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
6016 |
137.3 |
2.1 |
0.314 |
1 |
0 |
0 |
0.000 |
Average: |
147.8 |
2.0 |
0.305 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
19 |
9 |
5849 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
5887 |
133.0 |
-0.8 |
0.502 |
1 |
0 |
0 |
0.007 |
10 |
16 |
|
B |
14 |
6 |
5910 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
8 |
6016 |
120.2 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.004 |
11 |
17 |
|
A |
12 |
4 |
6016 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
9 |
5887 |
117.5 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]A:991 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6016 |
82.1 |
-11.5 |
0.706 |
1 |
0 |
0 |
0.146 |
13 |
19 |
|
[SO4]B:990 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
5910 |
69.7 |
-9.7 |
0.783 |
4 |
0 |
0 |
0.160 |
14 |
20 |
|
[SO4]B:990 |
4 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
5 |
5887 |
66.7 |
-10.3 |
0.670 |
1 |
0 |
0 |
0.149 |
15 |
21 |
|
D |
4 |
1 |
5887 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
5849 |
54.8 |
0.2 |
0.683 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
3 |
2 |
6016 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
3 |
5849 |
53.2 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[GXL]A:501 |
6 |
1 |
298 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
5849 |
50.6 |
0.5 |
0.264 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
8 |
4 |
5849 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
5910 |
39.8 |
0.5 |
0.747 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[GXL]B:502 |
4 |
1 |
302 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5849 |
37.4 |
0.4 |
0.305 |
0 |
0 |
0 |
0.000 |
26 |
|
[GXL]D:504 |
4 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6016 |
37.0 |
0.3 |
0.302 |
0 |
0 |
0 |
0.000 |
27 |
|
[GXL]C:503 |
4 |
1 |
301 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5910 |
36.7 |
0.4 |
0.293 |
0 |
0 |
0 |
0.000 |
28 |
|
[GXL]A:501 |
5 |
1 |
298 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5887 |
35.2 |
0.3 |
0.213 |
0 |
0 |
0 |
0.000 |
Average: |
36.6 |
0.3 |
0.278 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[SO4]A:991 |
4 |
1 |
185 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
5849 |
33.6 |
-2.8 |
0.993 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[CA]A:801 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6016 |
28.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.221 |
31 |
|
[CA]D:808 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
5887 |
28.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.221 |
32 |
|
[CA]C:806 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5849 |
28.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.221 |
33 |
|
[CA]B:803 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5910 |
28.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
28.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.221 |
22 |
34 |
|
[CA]C:805 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
5849 |
25.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.166 |
35 |
|
[CA]B:804 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
5910 |
25.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.166 |
36 |
|
[CA]A:802 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
6016 |
25.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.166 |
37 |
|
[CA]D:807 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
5887 |
25.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
25.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.166 |
23 |
38 |
|
[CA]C:806 |
1 |
1 |
85 |
f |
[GXL]C:503 |
x,y,z |
1_555 |
4 |
1 |
301 |
25.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
39 |
|
[CA]D:808 |
1 |
1 |
85 |
f |
[GXL]D:504 |
x,y,z |
1_555 |
4 |
1 |
301 |
25.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
40 |
|
[CA]B:803 |
1 |
1 |
85 |
f |
[GXL]B:502 |
x,y,z |
1_555 |
4 |
1 |
302 |
24.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
41 |
|
[CA]A:801 |
1 |
1 |
85 |
f |
[GXL]A:501 |
x,y,z |
1_555 |
3 |
1 |
298 |
24.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
24.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
24 |
42 |
|
[CA]D:807 |
1 |
1 |
85 |
f |
[GXL]D:504 |
x,y,z |
1_555 |
3 |
1 |
301 |
23.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.096 |
43 |
|
[CA]C:805 |
1 |
1 |
85 |
f |
[GXL]C:503 |
x,y,z |
1_555 |
3 |
1 |
301 |
23.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.096 |
44 |
|
[CA]B:804 |
1 |
1 |
85 |
f |
[GXL]B:502 |
x,y,z |
1_555 |
4 |
1 |
302 |
23.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.096 |
45 |
|
[CA]A:802 |
1 |
1 |
85 |
f |
[GXL]A:501 |
x,y,z |
1_555 |
3 |
1 |
298 |
22.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
22.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.096 |
25 |
46 |
|
[CA]B:804 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5849 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.052 |
47 |
|
[CA]D:807 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6016 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.052 |
48 |
|
[CA]C:805 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5910 |
17.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.052 |
49 |
|
[CA]A:802 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5887 |
17.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
17.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.052 |
26 |
50 |
|
A |
2 |
1 |
6016 |
◊ |
[GXL]C:503 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
301 |
16.7 |
0.6 |
0.473 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
[SO4]B:990 |
2 |
1 |
185 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
5849 |
10.1 |
-1.2 |
0.751 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
A |
2 |
1 |
6016 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6016 |
8.4 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[CA]B:804 |
1 |
1 |
85 |
f |
[CA]B:803 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
30 |
54 |
|
[CA]D:808 |
1 |
1 |
85 |
f |
[CA]D:807 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
31 |
55 |
|
[CA]C:806 |
1 |
1 |
85 |
f |
[CA]C:805 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
56 |
|
[CA]A:802 |
1 |
1 |
85 |
f |
[CA]A:801 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
33 |
57 |
|
B |
1 |
1 |
5910 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
5910 |
4.8 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
B |
1 |
1 |
5910 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
5849 |
1.5 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|