## |
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 |
47 |
11 |
2848 |
◊ |
C |
x,y,z |
1_555 |
58 |
11 |
2571 |
505.5 |
-5.6 |
0.598 |
25 |
0 |
0 |
1.000 |
2 |
2 |
|
F |
54 |
4 |
2632 |
◊ |
B |
x,y,z |
1_555 |
55 |
19 |
11879 |
501.0 |
-6.0 |
0.345 |
7 |
0 |
0 |
0.196 |
3 |
|
D |
53 |
5 |
2848 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
11664 |
483.2 |
-6.8 |
0.278 |
7 |
0 |
0 |
0.196 |
Average: |
492.1 |
-6.4 |
0.311 |
7 |
0 |
0 |
0.196 |
3 |
4 |
|
A |
50 |
18 |
11664 |
◊ |
A |
-y+1,-x+1,-z-3/2 |
8_663 |
48 |
18 |
11664 |
493.6 |
-1.0 |
0.563 |
10 |
2 |
0 |
0.070 |
5 |
|
B |
51 |
17 |
11879 |
◊ |
B |
y,x,-z-1 |
7_554 |
51 |
17 |
11879 |
484.0 |
0.2 |
0.668 |
10 |
6 |
0 |
0.070 |
Average: |
488.8 |
-0.4 |
0.616 |
10 |
4 |
0 |
0.070 |
4 |
6 |
|
A |
44 |
12 |
11664 |
x |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
53 |
14 |
11664 |
442.1 |
0.7 |
0.710 |
6 |
2 |
0 |
0.000 |
7 |
|
B |
54 |
15 |
11879 |
x |
B |
-y+3/2,x-1/2,z-1/4 |
3_644 |
46 |
14 |
11879 |
433.5 |
-1.2 |
0.509 |
3 |
0 |
0 |
0.000 |
Average: |
437.8 |
-0.3 |
0.609 |
5 |
1 |
0 |
0.000 |
5 |
8 |
|
A |
53 |
16 |
11664 |
◊ |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
52 |
15 |
11879 |
439.5 |
-2.1 |
0.402 |
3 |
0 |
0 |
0.034 |
6 |
9 |
|
E |
49 |
9 |
2195 |
◊ |
F |
x,y,z |
1_555 |
40 |
9 |
2632 |
403.8 |
-2.3 |
0.651 |
22 |
0 |
0 |
0.625 |
7 |
10 |
|
C |
42 |
8 |
2571 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
11664 |
350.3 |
-4.6 |
0.564 |
7 |
0 |
0 |
0.138 |
8 |
11 |
|
E |
37 |
6 |
2195 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
11879 |
340.9 |
-4.5 |
0.554 |
4 |
0 |
0 |
0.093 |
9 |
12 |
|
[PED]F:427 |
11 |
1 |
319 |
cf |
B |
x,y,z |
1_555 |
30 |
12 |
11879 |
182.8 |
-0.2 |
0.527 |
5 |
0 |
0 |
0.065 |
10 |
13 |
|
[PED]D:427 |
11 |
1 |
325 |
cf |
A |
x,y,z |
1_555 |
28 |
12 |
11664 |
168.3 |
-1.1 |
0.392 |
3 |
0 |
0 |
0.044 |
11 |
14 |
|
A |
15 |
6 |
11664 |
x |
A |
-x+1/2,y-1/2,-z-5/4 |
5_543 |
15 |
5 |
11664 |
116.2 |
-1.2 |
0.408 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
9 |
4 |
11879 |
x |
B |
-x+3/2,y-1/2,-z-5/4 |
5_643 |
11 |
5 |
11879 |
76.2 |
0.6 |
0.709 |
0 |
0 |
0 |
0.000 |
Average: |
96.2 |
-0.3 |
0.558 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[PED]F:427 |
10 |
1 |
319 |
c |
F |
x,y,z |
1_555 |
10 |
2 |
2632 |
106.4 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.008 |
13 |
17 |
|
[PED]D:427 |
10 |
1 |
325 |
c |
D |
x,y,z |
1_555 |
10 |
2 |
2848 |
99.6 |
0.3 |
0.548 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[SO4]A:601 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11664 |
87.5 |
-12.1 |
0.809 |
2 |
0 |
0 |
0.233 |
15 |
19 |
|
[SO4]B:602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11879 |
73.9 |
-11.3 |
0.636 |
1 |
0 |
0 |
0.322 |
16 |
20 |
|
[SO4]B:603 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11879 |
62.0 |
-7.8 |
0.817 |
1 |
0 |
0 |
0.227 |
17 |
21 |
|
[NA]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11879 |
50.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.167 |
18 |
22 |
|
[NA]F:701 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
2632 |
40.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.219 |
19 |
23 |
|
A |
7 |
3 |
11664 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
11879 |
39.6 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[PED]D:427 |
3 |
1 |
325 |
f |
[SO4]A:601 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.7 |
-4.6 |
0.785 |
1 |
0 |
0 |
0.090 |
21 |
25 |
|
[SO4]B:602 |
3 |
1 |
186 |
◊ |
B |
y,x,-z-1 |
7_554 |
7 |
3 |
11879 |
31.2 |
-4.0 |
0.674 |
0 |
0 |
0 |
0.109 |
22 |
26 |
|
[NA]F:701 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
2195 |
24.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.156 |
23 |
27 |
|
[NA]F:701 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11879 |
23.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.060 |
24 |
28 |
|
B |
3 |
2 |
11879 |
◊ |
B |
-y+1,-x+1,-z-3/2 |
8_663 |
3 |
2 |
11879 |
20.3 |
-0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
E |
2 |
1 |
2195 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
2848 |
19.0 |
0.8 |
0.649 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
A |
1 |
1 |
11664 |
◊ |
F |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
2632 |
13.2 |
-0.6 |
0.351 |
0 |
0 |
0 |
0.006 |
27 |
31 |
|
F |
3 |
1 |
2632 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2571 |
4.8 |
0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
-y+3/2,x-1/2,z-1/4 |
3_644 |
2 |
1 |
11879 |
3.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
33 |
|
A |
2 |
1 |
11664 |
f |
[ZN]A:501 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
98 |
2.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
3.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.040 |
|