## |
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 |
|
J |
668 |
145 |
32393 |
◊ |
I |
x,y,z |
1_555 |
698 |
145 |
32302 |
6495.6 |
-69.3 |
0.982 |
374 |
0 |
0 |
1.000 |
2 |
2 |
|
F |
243 |
56 |
7814 |
◊ |
E |
x,y,z |
1_555 |
263 |
60 |
8616 |
2524.0 |
-41.6 |
0.043 |
22 |
2 |
0 |
1.000 |
3 |
|
B |
234 |
53 |
6945 |
◊ |
A |
x,y,z |
1_555 |
247 |
59 |
8604 |
2409.8 |
-38.2 |
0.059 |
19 |
3 |
0 |
1.000 |
Average: |
2466.9 |
-39.9 |
0.051 |
21 |
3 |
0 |
1.000 |
3 |
4 |
|
D |
256 |
64 |
8214 |
◊ |
C |
x,y,z |
1_555 |
244 |
60 |
8895 |
2472.6 |
-44.9 |
0.022 |
17 |
6 |
0 |
0.723 |
5 |
|
H |
259 |
63 |
8273 |
◊ |
G |
x,y,z |
1_555 |
249 |
59 |
8852 |
2469.7 |
-45.8 |
0.023 |
22 |
8 |
0 |
0.723 |
Average: |
2471.2 |
-45.3 |
0.022 |
20 |
7 |
0 |
0.723 |
4 |
6 |
|
J |
109 |
22 |
32393 |
◊ |
A |
x,y,z |
1_555 |
82 |
23 |
8604 |
800.5 |
-5.4 |
0.812 |
12 |
0 |
0 |
0.303 |
7 |
|
I |
100 |
19 |
32302 |
◊ |
E |
x,y,z |
1_555 |
72 |
22 |
8616 |
758.1 |
-6.7 |
0.765 |
13 |
0 |
0 |
0.303 |
Average: |
779.3 |
-6.1 |
0.789 |
13 |
0 |
0 |
0.303 |
5 |
8 |
|
I |
88 |
17 |
32302 |
◊ |
A |
x,y,z |
1_555 |
77 |
23 |
8604 |
712.2 |
-11.3 |
0.571 |
15 |
0 |
0 |
1.000 |
9 |
|
J |
86 |
17 |
32393 |
◊ |
E |
x,y,z |
1_555 |
73 |
21 |
8616 |
700.4 |
-12.7 |
0.536 |
13 |
0 |
0 |
1.000 |
Average: |
706.3 |
-12.0 |
0.554 |
14 |
0 |
0 |
1.000 |
6 |
10 |
|
C |
60 |
16 |
8895 |
◊ |
E |
x,y,z |
1_555 |
59 |
21 |
8616 |
664.5 |
-7.6 |
0.312 |
8 |
0 |
0 |
0.291 |
11 |
|
G |
60 |
17 |
8852 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
8604 |
656.8 |
-8.1 |
0.265 |
8 |
0 |
0 |
0.291 |
Average: |
660.7 |
-7.8 |
0.288 |
8 |
0 |
0 |
0.291 |
7 |
12 |
|
E |
61 |
16 |
8616 |
◊ |
A |
x,y,z |
1_555 |
58 |
14 |
8604 |
610.6 |
-9.8 |
0.243 |
4 |
4 |
0 |
0.759 |
8 |
13 |
|
D |
51 |
11 |
8214 |
◊ |
B |
x,y,z |
1_555 |
49 |
11 |
6945 |
502.6 |
-2.5 |
0.639 |
9 |
4 |
0 |
0.072 |
14 |
|
H |
44 |
11 |
8273 |
◊ |
F |
x,y,z |
1_555 |
51 |
12 |
7814 |
471.0 |
-2.2 |
0.607 |
6 |
2 |
0 |
0.072 |
Average: |
486.8 |
-2.3 |
0.623 |
8 |
3 |
0 |
0.072 |
9 |
15 |
|
I |
68 |
14 |
32302 |
◊ |
D |
x,y,z |
1_555 |
49 |
17 |
8214 |
476.5 |
-9.0 |
0.549 |
10 |
0 |
0 |
0.540 |
16 |
|
J |
61 |
12 |
32393 |
◊ |
H |
x,y,z |
1_555 |
52 |
15 |
8273 |
460.5 |
-10.9 |
0.450 |
11 |
0 |
0 |
0.540 |
Average: |
468.5 |
-9.9 |
0.500 |
11 |
0 |
0 |
0.540 |
10 |
17 |
|
I |
65 |
15 |
32302 |
◊ |
G |
x,y,z |
1_555 |
49 |
17 |
8852 |
475.2 |
-5.5 |
0.648 |
11 |
0 |
0 |
0.260 |
18 |
|
J |
60 |
13 |
32393 |
◊ |
C |
x,y,z |
1_555 |
46 |
17 |
8895 |
458.5 |
-5.2 |
0.659 |
10 |
0 |
0 |
0.260 |
Average: |
466.8 |
-5.4 |
0.653 |
11 |
0 |
0 |
0.260 |
11 |
19 |
|
J |
57 |
10 |
32393 |
◊ |
B |
x,y,z |
1_555 |
47 |
18 |
6945 |
449.3 |
-8.4 |
0.494 |
8 |
0 |
0 |
1.000 |
20 |
|
I |
42 |
8 |
32302 |
◊ |
F |
x,y,z |
1_555 |
43 |
15 |
7814 |
348.7 |
-7.7 |
0.416 |
7 |
0 |
0 |
1.000 |
Average: |
399.0 |
-8.1 |
0.455 |
8 |
0 |
0 |
1.000 |
12 |
21 |
|
J |
54 |
11 |
32393 |
◊ |
G |
x,y,z |
1_555 |
48 |
13 |
8852 |
393.0 |
-3.5 |
0.703 |
8 |
0 |
0 |
0.054 |
22 |
|
I |
47 |
10 |
32302 |
◊ |
C |
x,y,z |
1_555 |
46 |
13 |
8895 |
392.1 |
-4.9 |
0.605 |
6 |
0 |
0 |
0.054 |
Average: |
392.6 |
-4.2 |
0.654 |
7 |
0 |
0 |
0.054 |
13 |
23 |
|
C |
44 |
15 |
8895 |
◊ |
F |
x,y,z |
1_555 |
51 |
12 |
7814 |
385.3 |
-5.0 |
0.318 |
4 |
0 |
0 |
0.052 |
24 |
|
G |
39 |
14 |
8852 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
6945 |
379.5 |
-4.3 |
0.322 |
5 |
0 |
0 |
0.052 |
Average: |
382.4 |
-4.7 |
0.320 |
5 |
0 |
0 |
0.052 |
14 |
25 |
|
J |
39 |
8 |
32393 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
8214 |
341.7 |
-4.8 |
0.577 |
6 |
0 |
0 |
0.051 |
26 |
|
I |
41 |
8 |
32302 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
8273 |
307.6 |
-3.2 |
0.665 |
3 |
0 |
0 |
0.051 |
Average: |
324.6 |
-4.0 |
0.621 |
5 |
0 |
0 |
0.051 |
15 |
27 |
|
J |
49 |
13 |
32393 |
◊ |
F |
x,y,z |
1_555 |
31 |
12 |
7814 |
299.2 |
-3.5 |
0.658 |
3 |
0 |
0 |
0.061 |
28 |
|
I |
41 |
11 |
32302 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
6945 |
251.5 |
-1.6 |
0.719 |
2 |
0 |
0 |
0.061 |
Average: |
275.4 |
-2.6 |
0.689 |
3 |
0 |
0 |
0.061 |
16 |
29 |
|
F |
26 |
8 |
7814 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
9 |
8895 |
282.5 |
-0.2 |
0.650 |
1 |
5 |
0 |
0.004 |
17 |
30 |
|
F |
30 |
8 |
7814 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
8 |
8214 |
277.8 |
-0.8 |
0.622 |
3 |
1 |
0 |
0.008 |
18 |
31 |
|
D |
34 |
10 |
8214 |
◊ |
F |
x,y,z |
1_555 |
27 |
7 |
7814 |
266.9 |
-0.4 |
0.668 |
6 |
2 |
0 |
0.032 |
32 |
|
H |
36 |
10 |
8273 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
6945 |
266.6 |
-0.2 |
0.713 |
5 |
1 |
0 |
0.032 |
Average: |
266.7 |
-0.3 |
0.690 |
6 |
2 |
0 |
0.032 |
19 |
33 |
|
G |
24 |
7 |
8852 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
8895 |
173.4 |
1.6 |
0.802 |
3 |
0 |
0 |
0.000 |
20 |
34 |
|
J |
17 |
4 |
32393 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
8214 |
119.3 |
-1.8 |
0.594 |
0 |
0 |
0 |
0.010 |
21 |
35 |
|
J |
14 |
3 |
32393 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
8604 |
114.8 |
-0.9 |
0.614 |
1 |
0 |
0 |
0.000 |
22 |
36 |
|
E |
12 |
5 |
8616 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
8895 |
94.3 |
0.9 |
0.759 |
2 |
0 |
0 |
0.000 |
23 |
37 |
|
[4A6]D:201 |
6 |
1 |
336 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
8273 |
91.4 |
3.2 |
0.481 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[4A6]H:203 |
6 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8895 |
90.3 |
2.0 |
0.367 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
J |
15 |
1 |
32393 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
1 |
32302 |
87.4 |
3.0 |
0.865 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[SO4]H:201 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
8273 |
87.1 |
-13.8 |
0.784 |
5 |
0 |
0 |
0.369 |
27 |
41 |
|
I |
11 |
3 |
32302 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
8214 |
86.9 |
-3.2 |
0.270 |
0 |
0 |
0 |
0.006 |
28 |
42 |
|
[4A6]H:203 |
5 |
1 |
335 |
f |
H |
x,y,z |
1_555 |
14 |
3 |
8273 |
80.9 |
-0.2 |
0.246 |
0 |
0 |
0 |
0.004 |
29 |
43 |
|
[4A6]D:201 |
7 |
1 |
336 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
8214 |
76.7 |
-0.1 |
0.191 |
0 |
0 |
0 |
0.004 |
30 |
44 |
|
[4A6]D:201 |
4 |
1 |
336 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8852 |
76.3 |
1.9 |
0.405 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
I |
11 |
2 |
32302 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
12 |
3 |
32393 |
74.9 |
-0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[4A6]H:202 |
8 |
1 |
335 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
8273 |
74.0 |
-1.5 |
0.130 |
0 |
0 |
0 |
0.034 |
33 |
47 |
|
[SO4]C:1101 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8214 |
72.5 |
-10.4 |
0.708 |
2 |
0 |
0 |
0.455 |
34 |
48 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
8273 |
65.8 |
-9.0 |
0.772 |
2 |
0 |
0 |
0.229 |
35 |
49 |
|
E |
8 |
2 |
8616 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
8214 |
60.7 |
0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[4A6]H:203 |
4 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
8214 |
60.1 |
1.8 |
0.460 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[SO4]G:201 |
5 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8852 |
56.5 |
-8.3 |
0.738 |
3 |
0 |
0 |
0.103 |
38 |
52 |
|
H |
3 |
1 |
8273 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8895 |
53.1 |
-0.7 |
0.384 |
1 |
0 |
0 |
0.010 |
53 |
|
D |
4 |
2 |
8214 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8852 |
52.8 |
-0.3 |
0.527 |
1 |
0 |
0 |
0.010 |
Average: |
53.0 |
-0.5 |
0.455 |
1 |
0 |
0 |
0.010 |
39 |
54 |
|
H |
7 |
2 |
8273 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
32302 |
52.0 |
-1.7 |
0.408 |
0 |
0 |
0 |
0.009 |
40 |
55 |
|
[SO4]C:1101 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8895 |
50.7 |
-7.7 |
0.738 |
3 |
0 |
0 |
0.122 |
41 |
56 |
|
H |
3 |
2 |
8273 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
32393 |
46.4 |
0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
G |
5 |
3 |
8852 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
8616 |
43.3 |
1.2 |
0.842 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
J |
7 |
1 |
32393 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
8 |
1 |
32393 |
42.3 |
0.7 |
0.686 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
G |
3 |
2 |
8852 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
2 |
32302 |
40.1 |
-0.8 |
0.554 |
1 |
0 |
0 |
0.000 |
45 |
60 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8616 |
39.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.241 |
46 |
61 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8214 |
30.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.020 |
47 |
62 |
|
I |
4 |
2 |
32302 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
32393 |
26.4 |
-1.0 |
0.445 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
J |
3 |
2 |
32393 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8895 |
24.4 |
-0.9 |
0.427 |
0 |
0 |
0 |
0.002 |
49 |
64 |
|
[4A6]H:203 |
3 |
1 |
335 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7814 |
21.7 |
0.9 |
0.404 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[4A6]H:202 |
3 |
1 |
335 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
32302 |
20.2 |
0.7 |
0.371 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[SO4]C:1101 |
3 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32393 |
19.1 |
-3.1 |
0.379 |
0 |
0 |
0 |
0.021 |
52 |
67 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32302 |
17.4 |
-2.6 |
0.386 |
0 |
0 |
0 |
0.017 |
53 |
68 |
|
H |
4 |
4 |
8273 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
8214 |
16.8 |
0.7 |
0.823 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
I |
2 |
1 |
32302 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6945 |
16.0 |
0.8 |
0.807 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8895 |
10.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
71 |
|
C |
3 |
2 |
8895 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6945 |
10.2 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
72 |
|
G |
1 |
1 |
8852 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7814 |
2.3 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
0.2 |
0.730 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7814 |
10.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
58 |
74 |
|
[4A6]D:201 |
1 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6945 |
8.1 |
0.4 |
0.468 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
J |
1 |
1 |
32393 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32393 |
5.7 |
-0.1 |
0.356 |
0 |
0 |
0 |
0.000 |
60 |
76 |
|
[4A6]H:202 |
1 |
1 |
335 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
8852 |
5.0 |
0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
I |
1 |
1 |
32302 |
x |
I |
x-1,y,z |
1_455 |
1 |
1 |
32302 |
2.5 |
-0.3 |
0.216 |
0 |
0 |
0 |
0.000 |
62 |
78 |
|
[SO4]H:201 |
1 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8852 |
2.3 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.003 |
63 |
79 |
|
I |
3 |
1 |
32302 |
x |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
32302 |
0.9 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
64 |
80 |
|
I |
1 |
1 |
32302 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32302 |
0.7 |
-0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
65 |
81 |
|
A |
1 |
1 |
8604 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
32393 |
0.2 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
|