## |
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 |
238 |
67 |
15894 |
◊ |
G |
x,y,z |
1_555 |
245 |
68 |
15665 |
2417.5 |
-34.2 |
0.028 |
27 |
0 |
0 |
0.662 |
2 |
|
D |
225 |
63 |
15883 |
◊ |
C |
x,y,z |
1_555 |
231 |
61 |
15898 |
2227.2 |
-30.4 |
0.067 |
26 |
0 |
0 |
0.662 |
3 |
|
F |
220 |
61 |
15957 |
◊ |
E |
x,y,z |
1_555 |
220 |
61 |
15747 |
2191.6 |
-29.9 |
0.046 |
27 |
0 |
0 |
0.662 |
4 |
|
B |
216 |
61 |
15805 |
◊ |
A |
x,y,z |
1_555 |
216 |
60 |
15800 |
2124.3 |
-30.7 |
0.038 |
24 |
0 |
0 |
0.662 |
Average: |
2240.1 |
-31.3 |
0.045 |
26 |
0 |
0 |
0.662 |
2 |
5 |
|
C |
136 |
38 |
15898 |
◊ |
B |
x,y,z |
1_555 |
135 |
38 |
15805 |
1451.3 |
-16.7 |
0.155 |
31 |
15 |
0 |
0.741 |
6 |
|
D |
139 |
38 |
15883 |
◊ |
A |
x,y,z |
1_555 |
136 |
38 |
15800 |
1448.6 |
-13.6 |
0.294 |
30 |
15 |
0 |
0.741 |
7 |
|
H |
143 |
37 |
15894 |
◊ |
E |
x,y,z |
1_555 |
138 |
38 |
15747 |
1447.5 |
-14.7 |
0.245 |
30 |
14 |
0 |
0.741 |
8 |
|
G |
134 |
37 |
15665 |
◊ |
F |
x,y,z |
1_555 |
138 |
37 |
15957 |
1434.2 |
-13.6 |
0.245 |
32 |
14 |
0 |
0.741 |
Average: |
1445.4 |
-14.6 |
0.235 |
31 |
15 |
0 |
0.741 |
3 |
9 |
|
C |
100 |
29 |
15898 |
◊ |
A |
x,y,z |
1_555 |
93 |
26 |
15800 |
873.4 |
-11.7 |
0.214 |
13 |
1 |
0 |
1.000 |
10 |
|
D |
96 |
26 |
15883 |
◊ |
B |
x,y,z |
1_555 |
91 |
28 |
15805 |
842.8 |
-12.3 |
0.130 |
13 |
3 |
0 |
1.000 |
11 |
|
G |
95 |
28 |
15665 |
◊ |
E |
x,y,z |
1_555 |
90 |
25 |
15747 |
838.2 |
-13.5 |
0.107 |
12 |
1 |
0 |
1.000 |
12 |
|
H |
92 |
26 |
15894 |
◊ |
F |
x,y,z |
1_555 |
87 |
27 |
15957 |
830.4 |
-12.2 |
0.117 |
14 |
2 |
0 |
1.000 |
Average: |
846.2 |
-12.4 |
0.142 |
13 |
2 |
0 |
1.000 |
4 |
13 |
|
G |
42 |
14 |
15665 |
◊ |
A |
x,-y+1,-z+1 |
2_566 |
38 |
14 |
15800 |
338.4 |
-0.1 |
0.743 |
6 |
2 |
0 |
0.000 |
14 |
|
D |
35 |
14 |
15883 |
◊ |
F |
x-1,-y+1,-z+1 |
2_466 |
36 |
12 |
15957 |
293.5 |
-0.3 |
0.702 |
5 |
0 |
0 |
0.000 |
15 |
|
C |
31 |
11 |
15898 |
◊ |
E |
x-1,-y+1,-z+1 |
2_466 |
34 |
14 |
15747 |
276.7 |
0.5 |
0.805 |
5 |
0 |
0 |
0.000 |
Average: |
302.9 |
0.0 |
0.750 |
5 |
1 |
0 |
0.000 |
5 |
16 |
|
H |
32 |
10 |
15894 |
◊ |
B |
x,-y+1,-z+1 |
2_566 |
42 |
14 |
15805 |
332.3 |
-0.9 |
0.685 |
2 |
0 |
0 |
0.000 |
6 |
17 |
|
E |
31 |
13 |
15747 |
◊ |
G |
-x+2,-y+3/2,z-1/2 |
4_764 |
41 |
15 |
15665 |
325.4 |
3.3 |
0.810 |
5 |
1 |
0 |
0.000 |
18 |
|
A |
25 |
9 |
15800 |
◊ |
C |
-x+1,-y+1/2,z-1/2 |
4_654 |
32 |
12 |
15898 |
244.6 |
1.0 |
0.725 |
3 |
0 |
0 |
0.000 |
Average: |
285.0 |
2.1 |
0.768 |
4 |
1 |
0 |
0.000 |
7 |
19 |
|
B |
26 |
9 |
15805 |
◊ |
E |
x-1,-y+1,-z+1 |
2_466 |
28 |
8 |
15747 |
267.7 |
1.7 |
0.843 |
3 |
0 |
0 |
0.000 |
20 |
|
D |
29 |
7 |
15883 |
◊ |
G |
x-1,-y+1,-z+1 |
2_466 |
25 |
9 |
15665 |
251.9 |
1.2 |
0.791 |
3 |
0 |
0 |
0.000 |
21 |
|
F |
22 |
8 |
15957 |
◊ |
A |
x,-y+1,-z+1 |
2_566 |
29 |
7 |
15800 |
223.5 |
-0.3 |
0.653 |
2 |
0 |
0 |
0.000 |
Average: |
247.7 |
0.8 |
0.762 |
3 |
0 |
0 |
0.000 |
8 |
22 |
|
F |
24 |
8 |
15957 |
◊ |
G |
-x+2,y-1/2,-z+3/2 |
3_746 |
25 |
8 |
15665 |
230.6 |
1.9 |
0.875 |
4 |
5 |
0 |
0.000 |
9 |
23 |
|
A |
15 |
6 |
15800 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
15883 |
137.6 |
0.9 |
0.794 |
3 |
3 |
0 |
0.000 |
10 |
24 |
|
C |
14 |
5 |
15898 |
◊ |
F |
x-1,-y+1,-z+1 |
2_466 |
12 |
4 |
15957 |
127.8 |
-1.6 |
0.366 |
1 |
0 |
0 |
0.000 |
25 |
|
G |
12 |
5 |
15665 |
◊ |
B |
x,-y+1,-z+1 |
2_566 |
9 |
4 |
15805 |
84.0 |
0.3 |
0.732 |
1 |
0 |
0 |
0.000 |
Average: |
105.9 |
-0.7 |
0.549 |
1 |
0 |
0 |
0.000 |
11 |
26 |
|
D |
15 |
6 |
15883 |
◊ |
H |
-x+1,-y+3/2,z-1/2 |
4_664 |
14 |
8 |
15894 |
120.2 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
B |
11 |
5 |
15805 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
6 |
15883 |
114.3 |
-1.5 |
0.387 |
1 |
1 |
0 |
0.000 |
13 |
28 |
|
[SO4]H:501 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
15894 |
94.9 |
-12.0 |
0.900 |
5 |
0 |
0 |
0.321 |
14 |
29 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
15883 |
89.8 |
-12.2 |
0.828 |
5 |
0 |
0 |
0.325 |
15 |
30 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
15800 |
86.3 |
-11.4 |
0.839 |
2 |
0 |
0 |
0.411 |
16 |
31 |
|
[SO4]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15805 |
80.2 |
-9.6 |
0.937 |
4 |
0 |
0 |
0.259 |
17 |
32 |
|
[SO4]F:501 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
15957 |
75.6 |
-10.4 |
0.865 |
4 |
0 |
0 |
0.289 |
18 |
33 |
|
[SO4]F:501 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
15747 |
68.8 |
-8.8 |
0.948 |
2 |
0 |
0 |
0.151 |
19 |
34 |
|
[SO4]B:502 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
15800 |
68.0 |
-9.2 |
0.907 |
4 |
0 |
0 |
0.126 |
20 |
35 |
|
[SO4]B:501 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
15805 |
67.3 |
-9.3 |
0.869 |
3 |
0 |
0 |
0.123 |
21 |
36 |
|
[SO4]H:501 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
15665 |
65.0 |
-8.0 |
0.906 |
3 |
0 |
0 |
0.134 |
22 |
37 |
|
[SO4]D:501 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
15898 |
64.0 |
-8.5 |
0.897 |
3 |
0 |
0 |
0.149 |
23 |
38 |
|
F |
7 |
3 |
15957 |
◊ |
H |
-x+2,y-1/2,-z+3/2 |
3_746 |
4 |
2 |
15894 |
45.7 |
0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
D |
2 |
1 |
15883 |
◊ |
G |
-x+1,-y+3/2,z-1/2 |
4_664 |
2 |
1 |
15665 |
22.1 |
-0.7 |
0.207 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
H |
2 |
1 |
15894 |
◊ |
C |
x,-y+1,-z+1 |
2_566 |
1 |
1 |
15898 |
3.7 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
G |
1 |
1 |
15665 |
◊ |
D |
x,-y+1,-z+1 |
2_566 |
1 |
1 |
15883 |
2.5 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
C |
1 |
1 |
15898 |
◊ |
C |
x,-y+1,-z+1 |
2_566 |
1 |
1 |
15898 |
0.1 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
|