## |
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 |
|
G |
176 |
51 |
16731 |
◊ |
F |
x,y,z |
1_555 |
178 |
55 |
16695 |
1884.3 |
-43.3 |
0.035 |
8 |
2 |
0 |
1.000 |
2 |
|
B |
174 |
51 |
16732 |
◊ |
A |
x,y,z |
1_555 |
176 |
55 |
16700 |
1875.3 |
-43.1 |
0.032 |
8 |
2 |
0 |
1.000 |
Average: |
1879.8 |
-43.2 |
0.033 |
8 |
2 |
0 |
1.000 |
2 |
3 |
|
J |
140 |
34 |
12908 |
◊ |
F |
x,y,z |
1_555 |
142 |
43 |
16695 |
1313.5 |
-2.7 |
0.695 |
12 |
5 |
0 |
0.128 |
4 |
|
E |
145 |
34 |
12895 |
◊ |
A |
x,y,z |
1_555 |
142 |
43 |
16700 |
1311.2 |
-3.0 |
0.686 |
11 |
5 |
0 |
0.128 |
Average: |
1312.3 |
-2.9 |
0.691 |
12 |
5 |
0 |
0.128 |
3 |
5 |
|
J |
145 |
34 |
12908 |
◊ |
G |
x,y,z |
1_555 |
126 |
35 |
16731 |
1257.6 |
-6.5 |
0.553 |
13 |
6 |
0 |
1.000 |
6 |
|
E |
142 |
34 |
12895 |
◊ |
B |
x,y,z |
1_555 |
126 |
35 |
16732 |
1256.5 |
-6.6 |
0.543 |
13 |
6 |
0 |
1.000 |
Average: |
1257.1 |
-6.5 |
0.548 |
13 |
6 |
0 |
1.000 |
4 |
7 |
|
D |
105 |
35 |
11607 |
◊ |
C |
x,y,z |
1_555 |
104 |
35 |
11639 |
1102.7 |
-12.2 |
0.104 |
15 |
2 |
0 |
0.000 |
8 |
|
I |
103 |
34 |
11625 |
◊ |
H |
x,y,z |
1_555 |
105 |
34 |
11636 |
1101.5 |
-12.3 |
0.102 |
14 |
2 |
0 |
0.000 |
Average: |
1102.1 |
-12.3 |
0.103 |
15 |
2 |
0 |
0.000 |
5 |
9 |
|
I |
109 |
33 |
11625 |
◊ |
G |
x,y,z |
1_555 |
111 |
28 |
16731 |
1082.6 |
-16.7 |
0.098 |
11 |
1 |
0 |
0.491 |
10 |
|
D |
109 |
32 |
11607 |
◊ |
B |
x,y,z |
1_555 |
113 |
29 |
16732 |
1081.9 |
-16.7 |
0.099 |
10 |
1 |
0 |
0.491 |
Average: |
1082.3 |
-16.7 |
0.098 |
11 |
1 |
0 |
0.491 |
6 |
11 |
|
H |
102 |
28 |
11636 |
◊ |
F |
x,y,z |
1_555 |
121 |
30 |
16695 |
1017.6 |
-12.6 |
0.152 |
11 |
2 |
0 |
0.451 |
12 |
|
C |
100 |
28 |
11639 |
◊ |
A |
x,y,z |
1_555 |
118 |
30 |
16700 |
1013.7 |
-12.7 |
0.134 |
12 |
1 |
0 |
0.451 |
Average: |
1015.7 |
-12.6 |
0.143 |
12 |
2 |
0 |
0.451 |
7 |
13 |
|
A |
87 |
25 |
16700 |
◊ |
G |
x,y,z-1 |
1_554 |
85 |
24 |
16731 |
879.0 |
-18.3 |
0.230 |
2 |
4 |
0 |
1.000 |
14 |
|
F |
87 |
26 |
16695 |
◊ |
B |
x,y,z |
1_555 |
86 |
25 |
16732 |
874.5 |
-18.1 |
0.243 |
2 |
4 |
0 |
1.000 |
Average: |
876.8 |
-18.2 |
0.237 |
2 |
4 |
0 |
1.000 |
8 |
15 |
|
I |
60 |
20 |
11625 |
◊ |
D |
x-1,y,z |
1_455 |
60 |
20 |
11607 |
565.7 |
-1.8 |
0.563 |
4 |
2 |
0 |
0.000 |
9 |
16 |
|
H |
41 |
11 |
11636 |
◊ |
C |
-x,y-1/2,-z+3 |
2_548 |
39 |
11 |
11639 |
372.2 |
-4.6 |
0.231 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
[PO4]I:301 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
16 |
7 |
11625 |
111.9 |
-7.4 |
0.709 |
6 |
0 |
0 |
0.176 |
11 |
18 |
|
[PO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
11639 |
110.4 |
-7.4 |
0.699 |
7 |
0 |
0 |
0.257 |
12 |
19 |
|
[PO4]D:301 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
11607 |
110.3 |
-7.4 |
0.708 |
8 |
0 |
0 |
0.252 |
13 |
20 |
|
[PO4]H:301 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
11636 |
108.7 |
-7.3 |
0.708 |
8 |
0 |
0 |
0.274 |
14 |
21 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11639 |
85.5 |
-11.4 |
0.885 |
2 |
0 |
0 |
0.300 |
15 |
22 |
|
[SO4]D:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11607 |
82.9 |
-10.7 |
0.810 |
1 |
0 |
0 |
0.257 |
16 |
23 |
|
[SO4]H:303 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11636 |
81.7 |
-10.4 |
0.903 |
1 |
0 |
0 |
0.275 |
17 |
24 |
|
[SO4]I:304 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
11625 |
81.4 |
-11.1 |
0.889 |
1 |
0 |
0 |
0.203 |
18 |
25 |
|
[SO4]H:304 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11636 |
72.1 |
-9.1 |
0.917 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
J |
8 |
3 |
12908 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
11607 |
71.3 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
27 |
|
E |
8 |
3 |
12895 |
◊ |
I |
x,y,z-1 |
1_554 |
10 |
2 |
11625 |
69.7 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
Average: |
70.5 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11607 |
69.6 |
-9.1 |
0.920 |
3 |
0 |
0 |
0.000 |
21 |
29 |
|
[SO4]I:302 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
11625 |
67.6 |
-7.9 |
0.935 |
4 |
0 |
0 |
0.000 |
22 |
30 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11639 |
67.1 |
-8.3 |
0.941 |
4 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]I:303 |
4 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
11625 |
65.5 |
-7.5 |
0.951 |
3 |
0 |
0 |
0.155 |
24 |
32 |
|
[SO4]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11607 |
63.6 |
-7.3 |
0.941 |
3 |
0 |
0 |
0.000 |
25 |
33 |
|
[SO4]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11639 |
63.5 |
-7.1 |
0.955 |
3 |
0 |
0 |
0.000 |
26 |
34 |
|
[SO4]H:302 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
11636 |
58.6 |
-6.4 |
0.966 |
3 |
0 |
0 |
0.000 |
27 |
35 |
|
J |
12 |
4 |
12908 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16732 |
48.5 |
0.9 |
0.757 |
1 |
1 |
0 |
0.000 |
36 |
|
E |
12 |
4 |
12895 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
3 |
16731 |
48.4 |
0.9 |
0.760 |
1 |
1 |
0 |
0.000 |
Average: |
48.5 |
0.9 |
0.759 |
1 |
1 |
0 |
0.000 |
28 |
37 |
|
H |
5 |
4 |
11636 |
◊ |
D |
-x,y-1/2,-z+3 |
2_548 |
3 |
2 |
11607 |
34.3 |
1.3 |
0.846 |
0 |
0 |
0 |
0.000 |
38 |
|
I |
3 |
2 |
11625 |
◊ |
C |
-x,y-1/2,-z+3 |
2_548 |
5 |
4 |
11639 |
34.1 |
1.3 |
0.847 |
0 |
0 |
0 |
0.000 |
Average: |
34.2 |
1.3 |
0.847 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
H |
2 |
2 |
11636 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
16731 |
23.1 |
0.4 |
0.804 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
2 |
2 |
11639 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16732 |
22.8 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
Average: |
22.9 |
0.4 |
0.805 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[SO4]H:303 |
3 |
1 |
185 |
f |
[SO4]H:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
22.8 |
-5.2 |
0.992 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[SO4]I:304 |
1 |
1 |
185 |
f |
[SO4]I:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
21.8 |
-4.9 |
0.894 |
0 |
0 |
0 |
0.085 |
32 |
43 |
|
[SO4]D:304 |
4 |
1 |
185 |
f |
[SO4]D:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
20.6 |
-4.6 |
0.894 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[SO4]C:303 |
1 |
1 |
185 |
f |
[SO4]C:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.7 |
-3.6 |
0.891 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
I |
1 |
1 |
11625 |
◊ |
[SO4]D:302 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
9.7 |
-0.8 |
0.867 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[SO4]I:302 |
2 |
1 |
185 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
11607 |
3.2 |
-0.2 |
0.910 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
H |
1 |
1 |
11636 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
16732 |
0.8 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
48 |
|
G |
1 |
1 |
16731 |
◊ |
C |
-x,y-1/2,-z+3 |
2_548 |
1 |
1 |
11639 |
0.5 |
0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
|