## |
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 |
|
K |
116 |
30 |
13969 |
◊ |
I |
x,y,z |
1_555 |
108 |
28 |
13748 |
1093.2 |
-0.3 |
0.426 |
13 |
13 |
0 |
0.568 |
2 |
|
C |
112 |
29 |
14198 |
◊ |
A |
x,y,z |
1_555 |
109 |
28 |
13992 |
1091.1 |
-1.5 |
0.379 |
15 |
15 |
0 |
0.568 |
3 |
|
N |
106 |
27 |
14038 |
◊ |
M |
x,y,z |
1_555 |
112 |
29 |
14026 |
1085.7 |
0.2 |
0.431 |
16 |
12 |
0 |
0.568 |
4 |
|
F |
104 |
27 |
14329 |
◊ |
E |
x,y,z |
1_555 |
111 |
29 |
14147 |
1079.3 |
-0.8 |
0.393 |
11 |
13 |
0 |
0.568 |
5 |
|
B |
104 |
28 |
14047 |
◊ |
A |
x,y,z |
1_555 |
118 |
30 |
13992 |
1068.3 |
-0.3 |
0.460 |
12 |
14 |
0 |
0.568 |
6 |
|
C |
105 |
30 |
14198 |
◊ |
B |
x,y,z |
1_555 |
106 |
27 |
14047 |
1059.8 |
0.7 |
0.474 |
12 |
15 |
0 |
0.568 |
7 |
|
F |
110 |
29 |
14329 |
◊ |
D |
x,y,z |
1_555 |
105 |
31 |
14079 |
1058.8 |
-1.0 |
0.356 |
14 |
14 |
0 |
0.568 |
8 |
|
J |
108 |
27 |
13889 |
◊ |
I |
x,y,z |
1_555 |
109 |
29 |
13748 |
1058.5 |
-0.9 |
0.380 |
12 |
11 |
0 |
0.568 |
9 |
|
K |
108 |
28 |
13969 |
◊ |
J |
x,y,z |
1_555 |
118 |
30 |
13889 |
1052.6 |
-0.2 |
0.421 |
11 |
11 |
0 |
0.568 |
10 |
|
E |
109 |
31 |
14147 |
◊ |
D |
x,y,z |
1_555 |
100 |
27 |
14079 |
1040.7 |
0.9 |
0.489 |
13 |
13 |
0 |
0.568 |
11 |
|
M |
102 |
27 |
14026 |
◊ |
L |
x,y,z |
1_555 |
109 |
28 |
13926 |
1033.5 |
-0.5 |
0.418 |
13 |
12 |
0 |
0.568 |
12 |
|
N |
107 |
29 |
14038 |
◊ |
L |
x,y,z |
1_555 |
102 |
26 |
13926 |
1022.6 |
-0.2 |
0.439 |
11 |
12 |
0 |
0.568 |
Average: |
1062.0 |
-0.3 |
0.422 |
13 |
13 |
0 |
0.568 |
2 |
13 |
|
D |
72 |
25 |
14079 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
78 |
23 |
13992 |
656.9 |
6.0 |
0.842 |
10 |
7 |
0 |
0.000 |
3 |
14 |
|
N |
60 |
14 |
14038 |
◊ |
K |
-x+2,y-1/2,-z+3/2 |
3_746 |
60 |
16 |
13969 |
535.8 |
-2.6 |
0.293 |
2 |
2 |
0 |
0.000 |
4 |
15 |
|
D |
56 |
22 |
14079 |
◊ |
B |
x,y,z |
1_555 |
52 |
19 |
14047 |
513.2 |
-5.5 |
0.098 |
5 |
0 |
0 |
0.209 |
16 |
|
F |
49 |
19 |
14329 |
◊ |
C |
x,y,z |
1_555 |
50 |
21 |
14198 |
473.7 |
-5.5 |
0.088 |
4 |
0 |
0 |
0.209 |
17 |
|
L |
50 |
19 |
13926 |
◊ |
J |
x,y,z |
1_555 |
49 |
18 |
13889 |
473.5 |
-5.8 |
0.079 |
5 |
0 |
0 |
0.209 |
18 |
|
N |
46 |
17 |
14038 |
◊ |
K |
x,y,z |
1_555 |
46 |
17 |
13969 |
437.0 |
-5.7 |
0.078 |
4 |
0 |
0 |
0.209 |
19 |
|
M |
44 |
16 |
14026 |
◊ |
I |
x,y,z |
1_555 |
44 |
17 |
13748 |
425.2 |
-6.4 |
0.050 |
4 |
0 |
0 |
0.209 |
20 |
|
E |
43 |
16 |
14147 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
13992 |
419.6 |
-6.6 |
0.048 |
4 |
0 |
0 |
0.209 |
Average: |
457.0 |
-5.9 |
0.074 |
4 |
0 |
0 |
0.209 |
5 |
21 |
|
M |
62 |
20 |
14026 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
57 |
14 |
14329 |
507.7 |
0.1 |
0.430 |
7 |
3 |
0 |
0.000 |
22 |
|
J |
53 |
17 |
13889 |
◊ |
B |
x,y,z |
1_555 |
56 |
14 |
14047 |
493.0 |
-0.4 |
0.363 |
4 |
3 |
0 |
0.000 |
Average: |
500.3 |
-0.1 |
0.396 |
6 |
3 |
0 |
0.000 |
6 |
23 |
|
E |
37 |
12 |
14147 |
◊ |
C |
x-1,y,z |
1_455 |
40 |
10 |
14198 |
312.9 |
1.1 |
0.594 |
3 |
2 |
0 |
0.000 |
7 |
24 |
|
F |
36 |
9 |
14329 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
14047 |
298.0 |
-0.7 |
0.422 |
6 |
1 |
0 |
0.057 |
25 |
|
N |
32 |
7 |
14038 |
◊ |
J |
x,y,z |
1_555 |
31 |
9 |
13889 |
255.0 |
-1.0 |
0.384 |
3 |
1 |
0 |
0.057 |
26 |
|
D |
31 |
7 |
14079 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
13992 |
254.7 |
-0.3 |
0.481 |
3 |
2 |
0 |
0.057 |
27 |
|
L |
30 |
7 |
13926 |
◊ |
I |
x,y,z |
1_555 |
29 |
7 |
13748 |
250.9 |
-0.5 |
0.464 |
1 |
1 |
0 |
0.057 |
28 |
|
M |
27 |
7 |
14026 |
◊ |
K |
x,y,z |
1_555 |
27 |
7 |
13969 |
224.4 |
-1.1 |
0.379 |
1 |
1 |
0 |
0.057 |
29 |
|
E |
28 |
7 |
14147 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
14198 |
215.7 |
-1.2 |
0.379 |
0 |
0 |
0 |
0.057 |
Average: |
249.8 |
-0.8 |
0.418 |
2 |
1 |
0 |
0.057 |
8 |
30 |
|
E |
35 |
11 |
14147 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
14047 |
280.3 |
-1.7 |
0.321 |
2 |
2 |
0 |
0.000 |
9 |
31 |
|
L |
24 |
8 |
13926 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
27 |
10 |
14329 |
259.0 |
2.5 |
0.724 |
0 |
1 |
0 |
0.000 |
10 |
32 |
|
I |
18 |
6 |
13748 |
◊ |
K |
x-1,y,z |
1_455 |
21 |
7 |
13969 |
158.0 |
0.1 |
0.493 |
0 |
0 |
0 |
0.000 |
11 |
33 |
|
D |
19 |
5 |
14079 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
4 |
14047 |
157.1 |
-1.5 |
0.299 |
0 |
2 |
0 |
0.000 |
12 |
34 |
|
D |
25 |
7 |
14079 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
6 |
14047 |
157.1 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
13 |
35 |
|
L |
14 |
3 |
13926 |
◊ |
N |
x-1,y,z |
1_455 |
10 |
4 |
14038 |
85.9 |
-0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
14 |
36 |
|
M |
6 |
3 |
14026 |
◊ |
C |
-x+2,y-1/2,-z+3/2 |
3_746 |
14 |
5 |
14198 |
71.5 |
1.7 |
0.788 |
1 |
0 |
0 |
0.000 |
37 |
|
J |
8 |
3 |
13889 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
14079 |
27.8 |
0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
Average: |
49.6 |
1.0 |
0.701 |
1 |
0 |
0 |
0.000 |
15 |
38 |
|
[SO4]I:307 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
13748 |
56.2 |
-6.2 |
0.917 |
1 |
0 |
0 |
0.158 |
39 |
|
[SO4]L:307 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
13926 |
56.0 |
-6.2 |
0.912 |
1 |
0 |
0 |
0.158 |
40 |
|
[SO4]A:307 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13992 |
55.8 |
-6.0 |
0.919 |
1 |
0 |
0 |
0.158 |
41 |
|
[SO4]D:307 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14079 |
55.4 |
-6.1 |
0.910 |
1 |
0 |
0 |
0.158 |
Average: |
55.9 |
-6.1 |
0.914 |
1 |
0 |
0 |
0.158 |
16 |
42 |
|
[SO4]L:307 |
5 |
1 |
187 |
◊ |
N |
x,y,z |
1_555 |
9 |
4 |
14038 |
53.8 |
-5.8 |
0.905 |
1 |
0 |
0 |
0.149 |
43 |
|
[SO4]I:307 |
5 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
13969 |
53.8 |
-5.8 |
0.911 |
1 |
0 |
0 |
0.149 |
44 |
|
[SO4]D:307 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
14329 |
53.4 |
-5.9 |
0.899 |
1 |
0 |
0 |
0.149 |
45 |
|
[SO4]A:307 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
14198 |
52.9 |
-5.7 |
0.907 |
1 |
0 |
0 |
0.149 |
Average: |
53.5 |
-5.8 |
0.905 |
1 |
0 |
0 |
0.149 |
17 |
46 |
|
[SO4]L:307 |
5 |
1 |
187 |
◊ |
M |
x,y,z |
1_555 |
8 |
4 |
14026 |
53.6 |
-5.9 |
0.912 |
1 |
0 |
0 |
0.151 |
47 |
|
[SO4]I:307 |
5 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
13889 |
53.3 |
-5.9 |
0.908 |
1 |
0 |
0 |
0.151 |
48 |
|
[SO4]A:307 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14047 |
53.3 |
-5.8 |
0.917 |
1 |
0 |
0 |
0.151 |
49 |
|
[SO4]D:307 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
14147 |
53.0 |
-5.9 |
0.917 |
1 |
0 |
0 |
0.151 |
Average: |
53.3 |
-5.9 |
0.913 |
1 |
0 |
0 |
0.151 |
18 |
50 |
|
D |
4 |
1 |
14079 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14198 |
35.4 |
0.2 |
0.654 |
1 |
0 |
0 |
0.000 |
51 |
|
L |
3 |
2 |
13926 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
13969 |
21.7 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
52 |
|
F |
2 |
1 |
14329 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13992 |
14.7 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
53 |
|
E |
2 |
1 |
14147 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14047 |
12.4 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
54 |
|
M |
2 |
1 |
14026 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
13889 |
5.9 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
Average: |
18.0 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
19 |
55 |
|
L |
4 |
2 |
13926 |
◊ |
K |
x-1,y,z |
1_455 |
5 |
2 |
13969 |
34.2 |
2.0 |
0.901 |
0 |
0 |
0 |
0.000 |
20 |
56 |
|
M |
3 |
1 |
14026 |
◊ |
B |
-x+2,y-1/2,-z+3/2 |
3_746 |
3 |
1 |
14047 |
21.0 |
0.8 |
0.816 |
1 |
1 |
0 |
0.000 |
21 |
57 |
|
M |
2 |
1 |
14026 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
2 |
14329 |
16.9 |
0.3 |
0.634 |
0 |
0 |
0 |
0.000 |
22 |
58 |
|
M |
1 |
1 |
14026 |
◊ |
K |
-x+2,y-1/2,-z+3/2 |
3_746 |
1 |
1 |
13969 |
10.3 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
23 |
59 |
|
E |
1 |
1 |
14147 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
13992 |
3.2 |
0.1 |
0.759 |
0 |
0 |
0 |
0.000 |
|