## |
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 |
305 |
75 |
16164 |
◊ |
C |
x,y,z |
1_555 |
326 |
80 |
15909 |
3154.8 |
-38.0 |
0.013 |
34 |
8 |
0 |
0.562 |
2 |
|
B |
316 |
75 |
15811 |
◊ |
A |
x,y,z |
1_555 |
309 |
75 |
16286 |
3078.8 |
-37.7 |
0.015 |
31 |
5 |
0 |
0.562 |
Average: |
3116.8 |
-37.8 |
0.014 |
33 |
7 |
0 |
0.562 |
2 |
3 |
|
[NDP]B:2002 |
47 |
1 |
909 |
f |
B |
x,y,z |
1_555 |
89 |
36 |
15811 |
679.2 |
-4.0 |
0.486 |
19 |
0 |
0 |
0.242 |
4 |
|
[NDP]D:2004 |
46 |
1 |
884 |
f |
D |
x,y,z |
1_555 |
92 |
38 |
16164 |
655.7 |
-4.6 |
0.424 |
14 |
0 |
0 |
0.242 |
5 |
|
[NDP]A:2001 |
47 |
1 |
901 |
f |
A |
x,y,z |
1_555 |
92 |
36 |
16286 |
647.1 |
-3.8 |
0.470 |
14 |
0 |
0 |
0.242 |
6 |
|
[NDP]C:2003 |
48 |
1 |
906 |
f |
C |
x,y,z |
1_555 |
92 |
37 |
15909 |
629.1 |
-4.2 |
0.407 |
14 |
0 |
0 |
0.242 |
Average: |
652.8 |
-4.1 |
0.447 |
15 |
0 |
0 |
0.242 |
3 |
7 |
|
A |
45 |
14 |
16286 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
36 |
9 |
15811 |
370.1 |
-0.6 |
0.626 |
4 |
2 |
0 |
0.000 |
8 |
|
D |
34 |
8 |
16164 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
41 |
14 |
15909 |
359.6 |
-0.3 |
0.641 |
5 |
2 |
0 |
0.000 |
Average: |
364.8 |
-0.5 |
0.634 |
5 |
2 |
0 |
0.000 |
4 |
9 |
|
C |
36 |
12 |
15909 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
12 |
15811 |
368.4 |
2.9 |
0.853 |
5 |
1 |
0 |
0.000 |
5 |
10 |
|
A |
36 |
12 |
16286 |
◊ |
B |
x,y-1,z |
1_545 |
40 |
16 |
15811 |
319.1 |
0.8 |
0.716 |
4 |
2 |
0 |
0.000 |
11 |
|
D |
22 |
9 |
16164 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
11 |
15909 |
187.6 |
0.6 |
0.685 |
3 |
2 |
0 |
0.000 |
Average: |
253.3 |
0.7 |
0.700 |
4 |
2 |
0 |
0.000 |
6 |
12 |
|
D |
31 |
10 |
16164 |
◊ |
B |
x-1,y-1,z |
1_445 |
30 |
9 |
15811 |
300.5 |
3.8 |
0.906 |
6 |
4 |
0 |
0.000 |
7 |
13 |
|
D |
34 |
7 |
16164 |
◊ |
B |
x,y-1,z |
1_545 |
34 |
7 |
15811 |
286.3 |
0.4 |
0.714 |
5 |
4 |
0 |
0.000 |
8 |
14 |
|
[DGY]A:3001 |
7 |
1 |
226 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
16286 |
110.2 |
1.8 |
0.479 |
6 |
0 |
0 |
0.010 |
9 |
15 |
|
[DGY]C:3002 |
7 |
1 |
228 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
15909 |
110.0 |
1.6 |
0.454 |
6 |
0 |
0 |
0.008 |
10 |
16 |
|
C |
14 |
6 |
15909 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16286 |
103.1 |
0.8 |
0.724 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
A |
10 |
5 |
16286 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
15811 |
102.9 |
-0.7 |
0.334 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
10 |
4 |
16164 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
11 |
7 |
15909 |
98.3 |
0.4 |
0.656 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[SO4]B:1005 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15811 |
95.2 |
-14.1 |
0.803 |
0 |
0 |
0 |
0.152 |
14 |
20 |
|
[SO4]C:1001 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
15909 |
94.2 |
-14.1 |
0.741 |
0 |
0 |
0 |
0.098 |
15 |
21 |
|
A |
10 |
3 |
16286 |
x |
A |
-x,y-1/2,-z |
2_545 |
12 |
4 |
16286 |
92.1 |
-0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[SO4]D:1004 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
16164 |
84.4 |
-12.7 |
0.697 |
0 |
0 |
0 |
0.088 |
17 |
23 |
|
[SO4]D:1003 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16164 |
80.0 |
-11.1 |
0.877 |
3 |
0 |
0 |
0.086 |
18 |
24 |
|
D |
7 |
3 |
16164 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
9 |
4 |
16164 |
68.1 |
0.6 |
0.585 |
1 |
1 |
0 |
0.000 |
25 |
|
B |
9 |
5 |
15811 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
15811 |
61.2 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
Average: |
64.7 |
0.2 |
0.562 |
1 |
1 |
0 |
0.000 |
19 |
26 |
|
[SO4]D:1002 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
16164 |
65.9 |
-9.2 |
0.640 |
0 |
0 |
0 |
0.064 |
20 |
27 |
|
[DGY]A:3001 |
7 |
1 |
226 |
f |
[NDP]A:2001 |
x,y,z |
1_555 |
9 |
1 |
901 |
61.0 |
0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[DGY]C:3002 |
7 |
1 |
228 |
f |
[NDP]C:2003 |
x,y,z |
1_555 |
10 |
1 |
906 |
59.9 |
0.3 |
0.244 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
D |
5 |
3 |
16164 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
6 |
3 |
16164 |
49.3 |
0.5 |
0.761 |
1 |
1 |
0 |
0.000 |
23 |
30 |
|
[SO4]C:1001 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
16164 |
44.4 |
-4.1 |
0.930 |
1 |
0 |
0 |
0.032 |
24 |
31 |
|
[SO4]D:1004 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
15909 |
42.6 |
-4.6 |
0.901 |
1 |
0 |
0 |
0.035 |
25 |
32 |
|
[SO4]B:1005 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
16286 |
33.7 |
-3.8 |
0.882 |
1 |
0 |
0 |
0.046 |
26 |
33 |
|
[SO4]D:1003 |
3 |
1 |
184 |
f |
[SO4]D:1002 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.6 |
-7.2 |
0.995 |
0 |
0 |
0 |
0.050 |
27 |
34 |
|
[SO4]D:1002 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15909 |
29.0 |
-3.2 |
0.831 |
0 |
0 |
0 |
0.022 |
28 |
35 |
|
[DGY]C:3002 |
3 |
1 |
228 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
16164 |
28.9 |
0.5 |
0.370 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[DGY]A:3001 |
2 |
1 |
226 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15811 |
25.9 |
0.3 |
0.384 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[NDP]B:2002 |
1 |
1 |
909 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16286 |
11.3 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
38 |
|
[NDP]C:2003 |
1 |
1 |
906 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16164 |
8.9 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
39 |
|
[NDP]A:2001 |
1 |
1 |
901 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15811 |
6.5 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
40 |
|
[NDP]D:2004 |
1 |
1 |
884 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15909 |
5.6 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
C |
1 |
1 |
15909 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
16286 |
6.2 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[SO4]D:1003 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15909 |
0.8 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
|