## |
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 |
|
B |
510 |
127 |
18485 |
◊ |
A |
x,y,z |
1_555 |
503 |
126 |
18685 |
5066.4 |
-70.0 |
0.042 |
49 |
4 |
0 |
0.533 |
2 |
|
D |
498 |
124 |
18606 |
◊ |
C |
x,y,z |
1_555 |
507 |
129 |
18713 |
4990.7 |
-68.4 |
0.055 |
49 |
4 |
0 |
0.533 |
Average: |
5028.5 |
-69.2 |
0.049 |
49 |
4 |
0 |
0.533 |
2 |
3 |
|
D |
57 |
19 |
18606 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
18485 |
503.6 |
-4.7 |
0.501 |
3 |
2 |
0 |
0.000 |
4 |
|
B |
52 |
17 |
18485 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
49 |
16 |
18685 |
445.2 |
-5.0 |
0.396 |
1 |
2 |
0 |
0.000 |
Average: |
474.4 |
-4.9 |
0.449 |
2 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
52 |
16 |
18713 |
◊ |
D |
-y,x-1,z+1/4 |
3_545 |
46 |
15 |
18606 |
420.7 |
-4.9 |
0.335 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
38 |
12 |
18685 |
◊ |
C |
-x+1,-y,z-1/2 |
2_654 |
33 |
11 |
18713 |
284.2 |
-3.3 |
0.395 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
23 |
6 |
18713 |
x |
B |
x,y,z |
1_555 |
34 |
16 |
18485 |
282.4 |
-8.4 |
0.018 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
13 |
3 |
18685 |
x |
A |
-y,x,z+1/4 |
3_555 |
16 |
9 |
18685 |
156.4 |
-3.2 |
0.168 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
15 |
4 |
18606 |
x |
D |
-y,x-1,z+1/4 |
3_545 |
16 |
8 |
18606 |
145.2 |
-2.8 |
0.259 |
0 |
0 |
0 |
0.000 |
Average: |
194.7 |
-4.8 |
0.148 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
24 |
10 |
18685 |
◊ |
C |
-y,x-1,z-3/4 |
3_544 |
25 |
10 |
18713 |
207.8 |
-2.2 |
0.515 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
13 |
3 |
18485 |
◊ |
C |
-x+1,-y,z-1/2 |
2_654 |
23 |
10 |
18713 |
199.1 |
-4.1 |
0.142 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
16 |
5 |
18485 |
◊ |
D |
-y,x-1,z+1/4 |
3_545 |
14 |
5 |
18606 |
128.3 |
-2.7 |
0.279 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[SO4]C:502 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
18713 |
103.9 |
-14.7 |
0.828 |
3 |
0 |
0 |
0.094 |
10 |
14 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18685 |
103.4 |
-13.9 |
0.766 |
1 |
0 |
0 |
0.079 |
11 |
15 |
|
[SO4]D:502 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
18606 |
102.7 |
-13.9 |
0.856 |
1 |
0 |
0 |
0.084 |
12 |
16 |
|
[SO4]D:501 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
18606 |
99.8 |
-15.6 |
0.911 |
7 |
0 |
0 |
0.110 |
13 |
17 |
|
[SO4]A:501 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
18685 |
99.3 |
-17.3 |
0.459 |
5 |
0 |
0 |
0.108 |
14 |
18 |
|
[SO4]B:503 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
18485 |
98.3 |
-13.5 |
0.910 |
4 |
0 |
0 |
0.085 |
15 |
19 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
18485 |
84.0 |
-13.7 |
0.803 |
7 |
0 |
0 |
0.093 |
16 |
20 |
|
[SO4]C:501 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
18713 |
82.6 |
-14.0 |
0.856 |
7 |
0 |
0 |
0.100 |
17 |
21 |
|
A |
11 |
4 |
18685 |
◊ |
D |
-x+1,-y,z-1/2 |
2_654 |
9 |
3 |
18606 |
77.9 |
0.8 |
0.833 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
D |
8 |
4 |
18606 |
x |
A |
x,y,z |
1_555 |
10 |
4 |
18685 |
71.0 |
-0.3 |
0.554 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
9 |
5 |
18485 |
x |
B |
-y,x,z+1/4 |
3_555 |
7 |
4 |
18485 |
59.0 |
0.1 |
0.728 |
1 |
0 |
0 |
0.000 |
Average: |
65.0 |
-0.1 |
0.641 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[SO4]C:501 |
5 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
18606 |
65.3 |
-7.7 |
0.761 |
2 |
0 |
0 |
0.050 |
20 |
25 |
|
[SO4]B:501 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18685 |
64.2 |
-7.5 |
0.756 |
2 |
0 |
0 |
0.047 |
21 |
26 |
|
[SO4]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18485 |
59.8 |
-8.4 |
0.778 |
1 |
0 |
0 |
0.049 |
22 |
27 |
|
C |
7 |
4 |
18713 |
x |
C |
-y,x-1,z+1/4 |
3_545 |
8 |
4 |
18713 |
49.6 |
0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
B |
3 |
1 |
18485 |
◊ |
A |
-y,x-1,z+1/4 |
3_545 |
5 |
1 |
18685 |
34.8 |
-0.6 |
0.387 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[SO4]A:501 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18485 |
34.5 |
-4.8 |
0.666 |
1 |
0 |
0 |
0.029 |
25 |
30 |
|
[SO4]D:501 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
18713 |
31.2 |
-4.4 |
0.687 |
1 |
0 |
0 |
0.028 |
26 |
31 |
|
A |
3 |
1 |
18685 |
◊ |
C |
-x+1,-y-1,z-1/2 |
2_644 |
3 |
2 |
18713 |
29.8 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
C |
1 |
1 |
18713 |
◊ |
D |
-y+1,x-1,z+1/4 |
3_645 |
2 |
1 |
18606 |
12.0 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[SO4]B:502 |
1 |
1 |
184 |
◊ |
A |
-y,x-1,z+1/4 |
3_545 |
1 |
1 |
18685 |
2.2 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
|