## |
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 |
|
H |
209 |
57 |
8775 |
◊ |
G |
x,y,z |
1_555 |
220 |
58 |
11936 |
2078.5 |
-14.2 |
0.488 |
32 |
1 |
0 |
0.590 |
2 |
|
D |
194 |
56 |
9239 |
◊ |
C |
x,y,z |
1_555 |
215 |
61 |
11888 |
2030.6 |
-15.8 |
0.391 |
33 |
0 |
0 |
0.590 |
3 |
|
B |
197 |
56 |
9066 |
◊ |
A |
x,y,z |
1_555 |
208 |
57 |
11851 |
1998.4 |
-12.0 |
0.591 |
36 |
0 |
0 |
0.590 |
4 |
|
F |
190 |
53 |
8906 |
◊ |
E |
x,y,z |
1_555 |
204 |
56 |
11742 |
1942.6 |
-12.7 |
0.526 |
34 |
2 |
0 |
0.590 |
Average: |
2012.5 |
-13.7 |
0.499 |
34 |
1 |
0 |
0.590 |
2 |
5 |
|
G |
71 |
23 |
11936 |
◊ |
C |
y,x,-z-1 |
4_554 |
66 |
24 |
11888 |
735.0 |
-14.6 |
0.007 |
2 |
1 |
0 |
0.159 |
6 |
|
E |
58 |
20 |
11742 |
◊ |
A |
y,x,-z |
4_555 |
65 |
22 |
11851 |
673.5 |
-15.4 |
0.003 |
0 |
0 |
0 |
0.159 |
Average: |
704.2 |
-15.0 |
0.005 |
1 |
1 |
0 |
0.159 |
3 |
7 |
|
E |
59 |
21 |
11742 |
◊ |
C |
-x,-x+y-1,-z-1/3 |
6_544 |
68 |
21 |
11888 |
623.1 |
4.0 |
0.904 |
10 |
3 |
0 |
0.010 |
8 |
|
G |
63 |
20 |
11936 |
◊ |
A |
-x,-x+y-1,-z-1/3 |
6_544 |
57 |
19 |
11851 |
578.8 |
2.5 |
0.820 |
10 |
0 |
0 |
0.010 |
Average: |
600.9 |
3.2 |
0.862 |
10 |
2 |
0 |
0.010 |
4 |
9 |
|
D |
46 |
12 |
9239 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
50 |
16 |
11742 |
479.8 |
-3.1 |
0.550 |
5 |
1 |
0 |
0.028 |
10 |
|
B |
43 |
12 |
9066 |
◊ |
G |
-y,x-y,z+2/3 |
2_555 |
47 |
15 |
11936 |
411.2 |
-3.3 |
0.503 |
3 |
0 |
0 |
0.028 |
Average: |
445.5 |
-3.2 |
0.526 |
4 |
1 |
0 |
0.028 |
5 |
11 |
|
C |
26 |
10 |
11888 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
30 |
11 |
11851 |
307.1 |
-1.3 |
0.489 |
4 |
6 |
0 |
0.011 |
6 |
12 |
|
A |
31 |
9 |
11851 |
◊ |
G |
-y,x-y,z+2/3 |
2_555 |
33 |
10 |
11936 |
304.4 |
-3.2 |
0.289 |
1 |
2 |
0 |
0.023 |
13 |
|
C |
33 |
10 |
11888 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
30 |
9 |
11742 |
299.6 |
-3.0 |
0.313 |
2 |
3 |
0 |
0.023 |
Average: |
302.0 |
-3.1 |
0.301 |
2 |
3 |
0 |
0.023 |
7 |
14 |
|
D |
30 |
9 |
9239 |
◊ |
H |
x-y-1,-y,-z-2/3 |
5_454 |
25 |
8 |
8775 |
238.8 |
-4.6 |
0.296 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
D |
19 |
5 |
9239 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
22 |
7 |
11851 |
206.3 |
-1.9 |
0.401 |
1 |
1 |
0 |
0.013 |
16 |
|
B |
16 |
5 |
9066 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
19 |
6 |
11888 |
178.1 |
-1.8 |
0.386 |
1 |
0 |
0 |
0.013 |
Average: |
192.2 |
-1.8 |
0.393 |
1 |
1 |
0 |
0.013 |
9 |
17 |
|
C |
27 |
8 |
11888 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
22 |
8 |
9066 |
205.3 |
-2.1 |
0.465 |
1 |
0 |
0 |
0.000 |
18 |
|
G |
25 |
8 |
11936 |
◊ |
F |
-y,x-y-1,z-1/3 |
2_544 |
25 |
9 |
8906 |
199.3 |
-1.8 |
0.500 |
1 |
0 |
0 |
0.000 |
Average: |
202.3 |
-2.0 |
0.482 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
A |
26 |
8 |
11851 |
◊ |
D |
-y,x-y+1,z+2/3 |
2_565 |
21 |
10 |
9239 |
187.8 |
-1.6 |
0.492 |
2 |
0 |
0 |
0.000 |
20 |
|
E |
21 |
8 |
11742 |
◊ |
H |
-y,x-y-1,z+2/3 |
2_545 |
19 |
8 |
8775 |
166.2 |
-2.0 |
0.433 |
0 |
0 |
0 |
0.000 |
Average: |
177.0 |
-1.8 |
0.463 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
B |
13 |
5 |
9066 |
◊ |
F |
x-y-1,-y,-z+1/3 |
5_455 |
12 |
5 |
8906 |
117.4 |
-2.5 |
0.282 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
A |
13 |
2 |
11851 |
◊ |
H |
-y,x-y,z+2/3 |
2_555 |
9 |
2 |
8775 |
105.4 |
-1.1 |
0.405 |
0 |
0 |
0 |
0.003 |
23 |
|
C |
8 |
2 |
11888 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
9 |
5 |
8906 |
81.8 |
0.1 |
0.655 |
0 |
0 |
0 |
0.003 |
Average: |
93.6 |
-0.5 |
0.530 |
0 |
0 |
0 |
0.003 |
13 |
24 |
|
[SO4]C:1218 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
11888 |
86.8 |
-10.7 |
0.900 |
4 |
0 |
0 |
0.242 |
14 |
25 |
|
E |
10 |
6 |
11742 |
f |
[SO4]C:1217 |
-x,-x+y-1,-z-1/3 |
6_544 |
5 |
1 |
186 |
86.6 |
-10.9 |
0.893 |
4 |
0 |
0 |
0.260 |
26 |
|
G |
9 |
6 |
11936 |
f |
[SO4]A:1217 |
-x,-x+y-1,-z-1/3 |
6_544 |
5 |
1 |
186 |
86.0 |
-11.0 |
0.886 |
4 |
0 |
0 |
0.260 |
Average: |
86.3 |
-11.0 |
0.890 |
4 |
0 |
0 |
0.260 |
15 |
27 |
|
[SO4]A:1218 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11851 |
84.7 |
-10.9 |
0.881 |
4 |
0 |
0 |
0.169 |
16 |
28 |
|
[SO4]G:1217 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
11936 |
81.9 |
-12.1 |
0.716 |
2 |
0 |
0 |
0.135 |
17 |
29 |
|
[SO4]A:1221 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11851 |
80.4 |
-11.8 |
0.706 |
4 |
0 |
0 |
0.181 |
18 |
30 |
|
[SO4]G:1219 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
11936 |
73.7 |
-9.1 |
0.895 |
3 |
0 |
0 |
0.109 |
19 |
31 |
|
[SO4]G:1218 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
11936 |
73.0 |
-10.1 |
0.728 |
1 |
0 |
0 |
0.110 |
20 |
32 |
|
[SO4]A:1220 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11851 |
71.3 |
-9.6 |
0.789 |
2 |
0 |
0 |
0.141 |
21 |
33 |
|
[SO4]C:1219 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11888 |
66.4 |
-6.9 |
0.968 |
4 |
0 |
0 |
0.169 |
22 |
34 |
|
[SO4]A:1219 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11851 |
66.2 |
-7.8 |
0.939 |
3 |
0 |
0 |
0.122 |
23 |
35 |
|
[SO4]G:1220 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
11936 |
64.4 |
-8.7 |
0.713 |
1 |
0 |
0 |
0.095 |
24 |
36 |
|
[SO4]E:1217 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
11742 |
63.3 |
-6.7 |
0.966 |
2 |
0 |
0 |
0.155 |
25 |
37 |
|
[SO4]A:1217 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11851 |
63.3 |
-7.5 |
0.895 |
2 |
0 |
0 |
0.071 |
38 |
|
[SO4]C:1217 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11888 |
59.8 |
-7.6 |
0.862 |
2 |
0 |
0 |
0.071 |
Average: |
61.5 |
-7.5 |
0.879 |
2 |
0 |
0 |
0.071 |
26 |
39 |
|
E |
9 |
3 |
11742 |
◊ |
[SO4]C:1218 |
-x,-x+y-1,-z-1/3 |
6_544 |
4 |
1 |
185 |
63.2 |
-7.9 |
0.849 |
2 |
0 |
0 |
0.074 |
27 |
40 |
|
G |
9 |
3 |
11936 |
◊ |
[SO4]A:1218 |
-x,-x+y-1,-z-1/3 |
6_544 |
4 |
1 |
186 |
60.4 |
-7.5 |
0.876 |
2 |
0 |
0 |
0.044 |
28 |
41 |
|
[SO4]A:1221 |
4 |
1 |
186 |
◊ |
E |
y,x,-z |
4_555 |
5 |
1 |
11742 |
44.3 |
-5.7 |
0.682 |
0 |
0 |
0 |
0.056 |
29 |
42 |
|
[SO4]G:1217 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
8775 |
43.7 |
-5.0 |
0.814 |
2 |
0 |
0 |
0.061 |
30 |
43 |
|
[SO4]G:1220 |
4 |
1 |
186 |
◊ |
F |
-y,x-y-1,z-1/3 |
2_544 |
5 |
2 |
8906 |
41.0 |
-4.3 |
0.879 |
2 |
0 |
0 |
0.000 |
31 |
44 |
|
[SO4]C:1219 |
4 |
1 |
186 |
◊ |
G |
y,x,-z-1 |
4_554 |
3 |
1 |
11936 |
36.6 |
-4.1 |
0.746 |
2 |
0 |
0 |
0.050 |
32 |
45 |
|
F |
5 |
2 |
8906 |
◊ |
A |
y,x,-z |
4_555 |
3 |
1 |
11851 |
36.4 |
0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
46 |
|
H |
5 |
3 |
8775 |
◊ |
C |
y,x,-z-1 |
4_554 |
4 |
2 |
11888 |
34.3 |
-0.1 |
0.491 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
4 |
1 |
9239 |
◊ |
G |
y,x,-z-1 |
4_554 |
3 |
1 |
11936 |
33.4 |
0.4 |
0.712 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
4 |
2 |
9066 |
◊ |
E |
y,x,-z |
4_555 |
3 |
1 |
11742 |
30.3 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
Average: |
33.6 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[SO4]A:1219 |
4 |
1 |
187 |
◊ |
E |
y,x,-z |
4_555 |
4 |
1 |
11742 |
34.9 |
-3.8 |
0.803 |
1 |
0 |
0 |
0.041 |
34 |
50 |
|
[SO4]G:1219 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8775 |
34.8 |
-4.5 |
0.802 |
0 |
0 |
0 |
0.047 |
35 |
51 |
|
[SO4]E:1217 |
4 |
1 |
187 |
◊ |
[SO4]A:1221 |
y,x,-z |
4_555 |
4 |
1 |
186 |
28.9 |
-6.3 |
0.998 |
0 |
0 |
0 |
0.061 |
36 |
52 |
|
[SO4]E:1217 |
3 |
1 |
187 |
◊ |
A |
y,x,-z |
4_555 |
3 |
1 |
11851 |
27.6 |
-3.4 |
0.837 |
1 |
0 |
0 |
0.038 |
37 |
53 |
|
[SO4]G:1219 |
3 |
1 |
186 |
f |
[SO4]G:1218 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.5 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.011 |
38 |
54 |
|
[SO4]A:1220 |
1 |
1 |
186 |
f |
[SO4]A:1219 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.8 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.012 |
39 |
55 |
|
[SO4]E:1217 |
2 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8906 |
3.6 |
-0.5 |
0.641 |
0 |
0 |
0 |
0.010 |
40 |
56 |
|
B |
1 |
1 |
9066 |
◊ |
H |
-y,x-y,z+2/3 |
2_555 |
1 |
1 |
8775 |
2.8 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[SO4]G:1219 |
1 |
1 |
186 |
◊ |
C |
y,x,-z-1 |
4_554 |
1 |
1 |
11888 |
0.7 |
-0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
|