## |
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 |
221 |
51 |
10525 |
◊ |
C |
x,y,z |
1_555 |
220 |
54 |
7636 |
2126.6 |
-19.6 |
0.054 |
43 |
13 |
0 |
0.708 |
2 |
|
B |
215 |
51 |
10960 |
◊ |
A |
x,y,z |
1_555 |
217 |
54 |
8263 |
2121.1 |
-18.0 |
0.060 |
37 |
11 |
0 |
0.708 |
3 |
|
F |
220 |
51 |
10840 |
◊ |
E |
x,y,z |
1_555 |
215 |
53 |
7611 |
2115.2 |
-18.3 |
0.079 |
36 |
9 |
0 |
0.708 |
4 |
|
H |
217 |
50 |
10404 |
◊ |
G |
x,y,z |
1_555 |
212 |
52 |
7430 |
2051.1 |
-18.4 |
0.086 |
38 |
8 |
0 |
0.708 |
Average: |
2103.5 |
-18.6 |
0.070 |
39 |
10 |
0 |
0.708 |
2 |
5 |
|
H |
84 |
22 |
10404 |
◊ |
B |
x,y,z |
1_555 |
91 |
23 |
10960 |
795.9 |
-11.5 |
0.059 |
7 |
0 |
0 |
0.238 |
6 |
|
F |
83 |
18 |
10840 |
◊ |
D |
x,y,z |
1_555 |
81 |
19 |
10525 |
721.9 |
-9.0 |
0.103 |
8 |
0 |
0 |
0.238 |
Average: |
758.9 |
-10.3 |
0.081 |
8 |
0 |
0 |
0.238 |
3 |
7 |
|
B |
46 |
14 |
10960 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
58 |
15 |
8263 |
492.9 |
0.9 |
0.592 |
5 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
46 |
13 |
10525 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
10960 |
478.2 |
0.9 |
0.620 |
7 |
6 |
0 |
0.000 |
5 |
9 |
|
F |
55 |
19 |
10840 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
47 |
10 |
7636 |
464.0 |
-0.1 |
0.519 |
6 |
0 |
0 |
0.000 |
6 |
10 |
|
H |
50 |
14 |
10404 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
51 |
15 |
10525 |
448.3 |
7.8 |
0.971 |
15 |
6 |
0 |
0.000 |
11 |
|
B |
48 |
13 |
10960 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
45 |
11 |
10840 |
439.8 |
8.6 |
0.983 |
13 |
7 |
0 |
0.000 |
Average: |
444.0 |
8.2 |
0.977 |
14 |
7 |
0 |
0.000 |
7 |
12 |
|
H |
42 |
13 |
10404 |
◊ |
F |
x,y,z |
1_555 |
44 |
16 |
10840 |
422.6 |
-0.4 |
0.532 |
4 |
3 |
0 |
0.000 |
8 |
13 |
|
A |
36 |
11 |
8263 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
44 |
14 |
10840 |
370.8 |
0.8 |
0.619 |
5 |
2 |
0 |
0.038 |
14 |
|
H |
33 |
11 |
10404 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
8 |
7636 |
312.7 |
0.4 |
0.632 |
7 |
0 |
0 |
0.038 |
15 |
|
B |
34 |
12 |
10960 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
7 |
7611 |
292.4 |
-0.5 |
0.536 |
8 |
3 |
0 |
0.038 |
16 |
|
G |
23 |
6 |
7430 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
29 |
10 |
10525 |
270.1 |
0.5 |
0.623 |
6 |
0 |
0 |
0.038 |
Average: |
311.5 |
0.3 |
0.602 |
7 |
1 |
0 |
0.038 |
9 |
17 |
|
H |
27 |
9 |
10404 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
10525 |
288.4 |
-0.9 |
0.475 |
2 |
3 |
0 |
0.000 |
10 |
18 |
|
A |
24 |
5 |
8263 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
5 |
7611 |
225.9 |
0.2 |
0.558 |
0 |
3 |
0 |
0.005 |
19 |
|
G |
24 |
6 |
7430 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
5 |
7636 |
215.7 |
0.1 |
0.582 |
2 |
0 |
0 |
0.005 |
Average: |
220.8 |
0.1 |
0.570 |
1 |
2 |
0 |
0.005 |
11 |
20 |
|
G |
33 |
10 |
7430 |
◊ |
F |
-x-3/2,-y,z-1/2 |
2_354 |
27 |
10 |
10840 |
217.6 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
B |
23 |
10 |
10960 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
17 |
7 |
7611 |
193.1 |
1.5 |
0.552 |
2 |
1 |
0 |
0.000 |
13 |
22 |
|
G |
19 |
5 |
7430 |
◊ |
E |
-x-3/2,-y,z-1/2 |
2_354 |
16 |
4 |
7611 |
186.4 |
3.6 |
0.851 |
3 |
3 |
0 |
0.000 |
14 |
23 |
|
D |
15 |
7 |
10525 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8263 |
126.0 |
0.1 |
0.525 |
4 |
3 |
0 |
0.000 |
15 |
24 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
10525 |
95.6 |
-13.9 |
0.667 |
5 |
0 |
0 |
0.306 |
25 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
10960 |
90.9 |
-12.6 |
0.711 |
5 |
0 |
0 |
0.306 |
Average: |
93.3 |
-13.3 |
0.689 |
5 |
0 |
0 |
0.306 |
16 |
26 |
|
H |
20 |
8 |
10404 |
f |
[SO4]D:201 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
185 |
95.3 |
-14.0 |
0.676 |
5 |
0 |
0 |
0.262 |
17 |
27 |
|
[SO4]H:201 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
10404 |
93.0 |
-14.0 |
0.809 |
5 |
0 |
0 |
0.262 |
18 |
28 |
|
H |
13 |
7 |
10404 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
7611 |
89.8 |
0.6 |
0.568 |
0 |
3 |
0 |
0.000 |
19 |
29 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
F |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
8 |
10840 |
88.9 |
-12.9 |
0.683 |
5 |
0 |
0 |
0.287 |
20 |
30 |
|
G |
11 |
4 |
7430 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
10960 |
87.0 |
-1.1 |
0.390 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[SO4]A:701 |
5 |
1 |
184 |
f |
E |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
3 |
7611 |
83.9 |
-11.9 |
0.749 |
5 |
0 |
0 |
0.154 |
22 |
32 |
|
[SO4]E:701 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
7611 |
78.9 |
-11.7 |
0.609 |
2 |
0 |
0 |
0.138 |
23 |
33 |
|
[SO4]F:201 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
10840 |
74.3 |
-7.1 |
0.962 |
4 |
0 |
0 |
0.169 |
24 |
34 |
|
G |
10 |
3 |
7430 |
f |
[SO4]C:701 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
185 |
73.6 |
-10.8 |
0.672 |
3 |
0 |
0 |
0.141 |
25 |
35 |
|
[SO4]F:201 |
4 |
1 |
185 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
3 |
7636 |
51.1 |
-6.2 |
0.668 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
H |
4 |
2 |
10404 |
◊ |
[SO4]D:202 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
43.4 |
-3.7 |
0.968 |
2 |
0 |
0 |
0.028 |
37 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
10840 |
40.8 |
-3.6 |
0.967 |
2 |
0 |
0 |
0.028 |
Average: |
42.1 |
-3.6 |
0.968 |
2 |
0 |
0 |
0.028 |
27 |
38 |
|
[SO4]D:201 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10525 |
42.9 |
-3.8 |
0.965 |
2 |
0 |
0 |
0.029 |
28 |
39 |
|
[SO4]A:701 |
4 |
1 |
184 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
3 |
10840 |
39.5 |
-4.1 |
0.919 |
1 |
0 |
0 |
0.050 |
29 |
40 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10960 |
37.4 |
-3.2 |
0.972 |
2 |
0 |
0 |
0.025 |
30 |
41 |
|
H |
5 |
3 |
10404 |
◊ |
[SO4]C:701 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
185 |
35.2 |
-4.4 |
0.855 |
1 |
0 |
0 |
0.056 |
31 |
42 |
|
[SO4]A:701 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8263 |
33.1 |
-4.3 |
0.583 |
0 |
0 |
0 |
0.026 |
32 |
43 |
|
[SO4]C:701 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7636 |
21.8 |
-2.7 |
0.617 |
0 |
0 |
0 |
0.016 |
33 |
44 |
|
[SO4]B:201 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8263 |
20.0 |
-1.6 |
0.875 |
0 |
0 |
0 |
0.031 |
45 |
|
[SO4]D:202 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
7636 |
6.5 |
-0.6 |
0.782 |
0 |
0 |
0 |
0.031 |
Average: |
13.3 |
-1.1 |
0.828 |
0 |
0 |
0 |
0.031 |
34 |
46 |
|
[SO4]B:202 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8263 |
17.2 |
-1.1 |
0.965 |
1 |
0 |
0 |
0.009 |
35 |
47 |
|
G |
1 |
1 |
7430 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
8263 |
13.2 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[SO4]D:202 |
2 |
1 |
185 |
◊ |
[SO4]D:201 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.5 |
-3.0 |
0.960 |
0 |
0 |
0 |
0.018 |
37 |
49 |
|
[SO4]B:202 |
3 |
1 |
185 |
◊ |
[SO4]B:201 |
x,y,z |
1_555 |
2 |
1 |
184 |
11.7 |
-2.8 |
0.976 |
0 |
0 |
0 |
0.017 |
38 |
50 |
|
H |
2 |
2 |
10404 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8263 |
7.8 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[SO4]B:202 |
2 |
1 |
185 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
7611 |
6.4 |
-0.6 |
0.819 |
0 |
0 |
0 |
0.006 |
40 |
52 |
|
D |
1 |
1 |
10525 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
7636 |
5.5 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
G |
1 |
1 |
7430 |
◊ |
[SO4]D:201 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
185 |
5.3 |
-0.5 |
0.783 |
0 |
0 |
0 |
0.006 |
42 |
54 |
|
G |
1 |
1 |
7430 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8263 |
0.3 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|