## |
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 |
|
E |
58 |
15 |
3987 |
◊ |
A |
x,y,z |
1_555 |
88 |
31 |
9724 |
671.7 |
-6.4 |
0.221 |
11 |
2 |
0 |
0.184 |
2 |
|
F |
59 |
14 |
4062 |
◊ |
B |
x,y,z |
1_555 |
87 |
31 |
9652 |
665.4 |
-5.3 |
0.300 |
11 |
1 |
0 |
0.184 |
3 |
|
G |
56 |
13 |
4004 |
◊ |
C |
x,y,z |
1_555 |
91 |
32 |
9800 |
645.9 |
-4.4 |
0.359 |
12 |
1 |
0 |
0.184 |
4 |
|
I |
57 |
14 |
4006 |
◊ |
D |
x,y,z |
1_555 |
85 |
29 |
9694 |
641.4 |
-5.9 |
0.243 |
10 |
1 |
0 |
0.184 |
Average: |
656.1 |
-5.5 |
0.281 |
11 |
1 |
0 |
0.184 |
2 |
5 |
|
B |
65 |
24 |
9652 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
9724 |
608.6 |
-4.6 |
0.310 |
8 |
0 |
0 |
0.000 |
3 |
6 |
|
G |
52 |
12 |
4004 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
44 |
13 |
9694 |
434.0 |
-5.1 |
0.173 |
4 |
0 |
0 |
0.077 |
7 |
|
E |
42 |
11 |
3987 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
48 |
14 |
9652 |
413.2 |
-4.9 |
0.190 |
4 |
0 |
0 |
0.077 |
8 |
|
A |
43 |
11 |
9724 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
37 |
11 |
4062 |
363.4 |
-5.3 |
0.134 |
1 |
0 |
0 |
0.077 |
9 |
|
C |
44 |
13 |
9800 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
36 |
11 |
4006 |
361.3 |
-4.6 |
0.186 |
1 |
0 |
0 |
0.077 |
Average: |
393.0 |
-5.0 |
0.171 |
3 |
0 |
0 |
0.077 |
4 |
10 |
|
C |
43 |
13 |
9800 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
43 |
15 |
9652 |
420.8 |
0.6 |
0.687 |
3 |
0 |
0 |
0.004 |
11 |
|
A |
40 |
15 |
9724 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
37 |
14 |
9694 |
400.6 |
-0.9 |
0.552 |
4 |
0 |
0 |
0.004 |
Average: |
410.7 |
-0.2 |
0.620 |
4 |
0 |
0 |
0.004 |
5 |
12 |
|
F |
39 |
12 |
4062 |
◊ |
I |
x,y,z-1 |
1_554 |
54 |
16 |
4006 |
413.1 |
-0.7 |
0.528 |
5 |
1 |
0 |
0.035 |
13 |
|
G |
41 |
12 |
4004 |
◊ |
E |
x-1,y,z-1 |
1_454 |
43 |
12 |
3987 |
344.0 |
-2.2 |
0.422 |
2 |
0 |
0 |
0.035 |
Average: |
378.5 |
-1.4 |
0.475 |
4 |
1 |
0 |
0.035 |
6 |
14 |
|
E |
31 |
8 |
3987 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
34 |
12 |
9800 |
269.8 |
-3.4 |
0.212 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
26 |
9 |
9800 |
◊ |
A |
x-1,y,z-1 |
1_454 |
28 |
9 |
9724 |
255.1 |
-3.4 |
0.204 |
1 |
1 |
0 |
0.027 |
16 |
|
B |
25 |
9 |
9652 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
7 |
9694 |
229.4 |
-2.2 |
0.334 |
1 |
0 |
0 |
0.027 |
Average: |
242.2 |
-2.8 |
0.269 |
1 |
1 |
0 |
0.027 |
8 |
17 |
|
C |
25 |
9 |
9800 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
9724 |
246.8 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
27 |
10 |
9694 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
9652 |
232.6 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
Average: |
239.7 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
C |
14 |
8 |
9800 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
8 |
9694 |
163.8 |
-0.5 |
0.534 |
0 |
1 |
0 |
0.005 |
20 |
|
A |
15 |
9 |
9724 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
5 |
9652 |
111.1 |
-0.7 |
0.478 |
0 |
1 |
0 |
0.005 |
Average: |
137.4 |
-0.6 |
0.506 |
0 |
1 |
0 |
0.005 |
10 |
21 |
|
C |
19 |
8 |
9800 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
9652 |
135.0 |
0.6 |
0.701 |
1 |
1 |
0 |
0.000 |
11 |
22 |
|
D |
12 |
6 |
9694 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
9724 |
121.5 |
0.5 |
0.689 |
2 |
1 |
0 |
0.000 |
12 |
23 |
|
[SO4]G:59 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
18 |
5 |
4004 |
110.9 |
-16.1 |
0.747 |
3 |
0 |
0 |
0.327 |
13 |
24 |
|
[SO4]F:59 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
5 |
4062 |
105.4 |
-15.3 |
0.666 |
3 |
0 |
0 |
0.388 |
25 |
|
[SO4]C:1 |
5 |
1 |
184 |
f |
I |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
5 |
4006 |
104.1 |
-16.0 |
0.688 |
3 |
0 |
0 |
0.388 |
Average: |
104.7 |
-15.7 |
0.677 |
3 |
0 |
0 |
0.388 |
14 |
26 |
|
[SO4]B:247 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9652 |
102.5 |
-13.7 |
0.850 |
3 |
0 |
0 |
0.152 |
15 |
27 |
|
[SO4]E:59 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
5 |
3987 |
101.7 |
-15.8 |
0.664 |
3 |
0 |
0 |
0.228 |
16 |
28 |
|
[SO4]D:248 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
9694 |
97.4 |
-11.7 |
0.830 |
1 |
0 |
0 |
0.149 |
17 |
29 |
|
[SO4]D:247 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
9694 |
92.9 |
-13.6 |
0.776 |
2 |
0 |
0 |
0.177 |
18 |
30 |
|
[SO4]B:14 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
9652 |
81.8 |
-10.9 |
0.824 |
4 |
0 |
0 |
0.128 |
19 |
31 |
|
F |
9 |
3 |
4062 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
9694 |
81.4 |
1.6 |
0.808 |
1 |
2 |
0 |
0.000 |
32 |
|
G |
3 |
3 |
4004 |
◊ |
A |
x-1,y,z-1 |
1_454 |
7 |
3 |
9724 |
32.9 |
1.3 |
0.787 |
1 |
1 |
0 |
0.000 |
Average: |
57.2 |
1.4 |
0.797 |
1 |
2 |
0 |
0.000 |
20 |
33 |
|
[SO4]G:60 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
4004 |
81.2 |
-11.2 |
0.820 |
3 |
0 |
0 |
0.235 |
21 |
34 |
|
[SO4]C:247 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9800 |
79.9 |
-9.9 |
0.873 |
1 |
0 |
0 |
0.194 |
22 |
35 |
|
[SO4]I:59 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
13 |
8 |
4006 |
79.2 |
-10.4 |
0.822 |
3 |
0 |
0 |
0.143 |
23 |
36 |
|
[SO4]F:60 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
4062 |
78.7 |
-10.7 |
0.780 |
4 |
0 |
0 |
0.142 |
24 |
37 |
|
[SO4]D:15 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
9694 |
77.2 |
-10.7 |
0.654 |
1 |
0 |
0 |
0.136 |
25 |
38 |
|
[SO4]F:61 |
5 |
1 |
187 |
◊ |
I |
x,y,z-1 |
1_554 |
12 |
4 |
4006 |
77.1 |
-9.1 |
0.814 |
2 |
0 |
0 |
0.114 |
26 |
39 |
|
[SO4]B:13 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
9652 |
76.6 |
-10.2 |
0.647 |
0 |
0 |
0 |
0.104 |
27 |
40 |
|
[SO4]E:60 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
3987 |
76.4 |
-9.3 |
0.857 |
3 |
0 |
0 |
0.142 |
28 |
41 |
|
[SO4]A:7 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9724 |
73.6 |
-10.2 |
0.639 |
1 |
0 |
0 |
0.142 |
29 |
42 |
|
[SO4]G:61 |
5 |
1 |
186 |
f |
E |
x-1,y,z-1 |
1_454 |
11 |
4 |
3987 |
71.7 |
-8.9 |
0.769 |
3 |
0 |
0 |
0.137 |
30 |
43 |
|
[SO4]B:6 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9652 |
71.1 |
-10.1 |
0.623 |
2 |
0 |
0 |
0.111 |
31 |
44 |
|
G |
5 |
1 |
4004 |
◊ |
C |
-x-2,y-1/2,-z-2 |
2_343 |
7 |
4 |
9800 |
61.7 |
0.8 |
0.573 |
1 |
0 |
0 |
0.000 |
45 |
|
D |
7 |
4 |
9694 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
4006 |
41.5 |
0.7 |
0.620 |
0 |
0 |
0 |
0.000 |
Average: |
51.6 |
0.8 |
0.596 |
1 |
0 |
0 |
0.000 |
32 |
46 |
|
A |
6 |
3 |
9724 |
f |
[SO4]D:8 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
185 |
56.8 |
-7.0 |
0.818 |
3 |
0 |
0 |
0.111 |
33 |
47 |
|
[SO4]D:8 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
9694 |
55.2 |
-6.6 |
0.802 |
3 |
0 |
0 |
0.012 |
34 |
48 |
|
[SO4]F:61 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
4062 |
54.8 |
-6.7 |
0.643 |
0 |
0 |
0 |
0.077 |
35 |
49 |
|
[SO4]F:59 |
4 |
1 |
185 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
9694 |
51.7 |
-4.6 |
0.973 |
1 |
0 |
0 |
0.024 |
36 |
50 |
|
G |
5 |
2 |
4004 |
◊ |
[SO4]E:60 |
x-1,y,z-1 |
1_454 |
4 |
1 |
186 |
44.7 |
-4.2 |
0.931 |
2 |
0 |
0 |
0.059 |
37 |
51 |
|
[SO4]B:13 |
4 |
1 |
185 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
9694 |
43.2 |
-5.2 |
0.579 |
0 |
0 |
0 |
0.024 |
38 |
52 |
|
[SO4]G:61 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4004 |
40.3 |
-4.9 |
0.761 |
0 |
0 |
0 |
0.057 |
39 |
53 |
|
E |
5 |
1 |
3987 |
◊ |
[SO4]B:14 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
186 |
39.9 |
-5.0 |
0.750 |
0 |
0 |
0 |
0.049 |
40 |
54 |
|
F |
3 |
1 |
4062 |
◊ |
[SO4]I:59 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
39.1 |
-3.5 |
0.948 |
2 |
0 |
0 |
0.050 |
41 |
55 |
|
[SO4]D:248 |
3 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
4006 |
32.6 |
-2.9 |
0.889 |
1 |
0 |
0 |
0.041 |
42 |
56 |
|
B |
4 |
1 |
9652 |
◊ |
I |
x,y,z-1 |
1_554 |
2 |
1 |
4006 |
32.4 |
1.4 |
0.823 |
1 |
1 |
0 |
0.002 |
57 |
|
C |
4 |
1 |
9800 |
◊ |
E |
x-1,y,z-1 |
1_454 |
3 |
1 |
3987 |
28.5 |
0.5 |
0.770 |
1 |
2 |
0 |
0.002 |
Average: |
30.4 |
0.9 |
0.796 |
1 |
2 |
0 |
0.002 |
43 |
58 |
|
[SO4]C:247 |
3 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
4004 |
29.4 |
-2.8 |
0.935 |
1 |
0 |
0 |
0.060 |
44 |
59 |
|
C |
2 |
1 |
9800 |
◊ |
[SO4]D:247 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
187 |
28.7 |
-3.4 |
0.911 |
1 |
0 |
0 |
0.025 |
45 |
60 |
|
[SO4]E:60 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9724 |
27.1 |
-2.7 |
0.899 |
0 |
0 |
0 |
0.037 |
46 |
61 |
|
[SO4]G:59 |
3 |
1 |
187 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
2 |
9724 |
22.6 |
-2.9 |
0.702 |
0 |
0 |
0 |
0.019 |
47 |
62 |
|
D |
4 |
3 |
9694 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
4062 |
22.5 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[SO4]F:60 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9652 |
19.7 |
-2.0 |
0.864 |
0 |
0 |
0 |
0.021 |
49 |
64 |
|
[SO4]C:247 |
4 |
1 |
188 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
9694 |
19.5 |
-2.2 |
0.792 |
0 |
0 |
0 |
0.014 |
50 |
65 |
|
[SO4]C:1 |
1 |
1 |
184 |
◊ |
[SO4]F:61 |
-x-1,y-1/2,-z-2 |
2_443 |
3 |
1 |
187 |
17.9 |
-4.3 |
0.891 |
0 |
0 |
0 |
0.049 |
51 |
66 |
|
[SO4]G:61 |
4 |
1 |
186 |
f |
[SO4]E:59 |
x-1,y,z-1 |
1_454 |
1 |
1 |
185 |
16.6 |
-3.7 |
0.894 |
0 |
0 |
0 |
0.049 |
52 |
67 |
|
C |
2 |
1 |
9800 |
◊ |
[SO4]B:247 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
184 |
16.5 |
-2.3 |
0.456 |
0 |
0 |
0 |
0.000 |
53 |
68 |
|
[SO4]B:247 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
4062 |
14.1 |
-1.3 |
0.955 |
0 |
0 |
0 |
0.014 |
54 |
69 |
|
C |
1 |
1 |
9800 |
◊ |
[SO4]D:248 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
188 |
12.4 |
-1.1 |
0.939 |
0 |
0 |
0 |
0.007 |
55 |
70 |
|
B |
1 |
1 |
9652 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
4006 |
10.6 |
0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
C |
1 |
1 |
9800 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9724 |
10.2 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
[SO4]I:59 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9694 |
9.8 |
-1.0 |
0.909 |
0 |
0 |
0 |
0.012 |
58 |
73 |
|
[SO4]D:15 |
1 |
1 |
186 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
4062 |
9.4 |
-1.1 |
0.774 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
G |
1 |
1 |
4004 |
◊ |
[SO4]E:59 |
x-1,y,z-1 |
1_454 |
1 |
1 |
185 |
8.3 |
-1.1 |
0.482 |
0 |
0 |
0 |
0.013 |
60 |
75 |
|
[SO4]D:247 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9652 |
5.8 |
-0.8 |
0.638 |
0 |
0 |
0 |
0.000 |
61 |
76 |
|
[SO4]C:247 |
1 |
1 |
188 |
◊ |
[SO4]D:247 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
187 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.008 |
62 |
77 |
|
[SO4]C:1 |
1 |
1 |
184 |
◊ |
F |
-x-1,y-1/2,-z-2 |
2_443 |
1 |
1 |
4062 |
4.3 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.007 |
63 |
78 |
|
[SO4]G:59 |
1 |
1 |
187 |
◊ |
[SO4]E:60 |
x-1,y,z-1 |
1_454 |
1 |
1 |
186 |
3.6 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.010 |
64 |
79 |
|
[SO4]D:15 |
1 |
1 |
186 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
4006 |
3.5 |
-0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
65 |
80 |
|
[SO4]F:59 |
1 |
1 |
185 |
◊ |
[SO4]I:59 |
x,y,z-1 |
1_554 |
1 |
1 |
186 |
1.6 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.004 |
|