## |
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 |
|
H |
108 |
30 |
10884 |
◊ |
G |
x,y,z |
1_555 |
110 |
29 |
11145 |
1088.2 |
-16.8 |
0.049 |
9 |
0 |
0 |
0.743 |
2 |
|
D |
106 |
30 |
11063 |
◊ |
C |
x,y,z |
1_555 |
103 |
30 |
11114 |
1086.6 |
-16.4 |
0.061 |
7 |
0 |
0 |
0.743 |
3 |
|
F |
111 |
31 |
10995 |
◊ |
E |
x,y,z |
1_555 |
111 |
29 |
10779 |
1065.0 |
-15.4 |
0.082 |
6 |
0 |
0 |
0.743 |
4 |
|
B |
103 |
29 |
10992 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
11074 |
1056.0 |
-15.5 |
0.072 |
6 |
0 |
0 |
0.743 |
Average: |
1073.9 |
-16.1 |
0.066 |
7 |
0 |
0 |
0.743 |
2 |
5 |
|
D |
64 |
16 |
11063 |
◊ |
A |
x,y,z |
1_555 |
64 |
17 |
11074 |
615.7 |
-5.6 |
0.385 |
7 |
0 |
0 |
0.000 |
6 |
|
E |
63 |
17 |
10779 |
◊ |
C |
x,y,z |
1_555 |
65 |
17 |
11114 |
613.9 |
-4.3 |
0.481 |
6 |
0 |
0 |
0.000 |
7 |
|
G |
61 |
17 |
11145 |
◊ |
F |
x,y,z |
1_555 |
61 |
15 |
10995 |
605.2 |
-4.7 |
0.396 |
7 |
0 |
0 |
0.000 |
8 |
|
H |
63 |
17 |
10884 |
◊ |
B |
x,y,z |
1_555 |
61 |
16 |
10992 |
595.3 |
-4.8 |
0.391 |
8 |
0 |
0 |
0.000 |
Average: |
607.5 |
-4.8 |
0.413 |
7 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
46 |
12 |
10992 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
54 |
15 |
11063 |
434.3 |
-0.9 |
0.634 |
8 |
4 |
0 |
0.000 |
4 |
10 |
|
B |
40 |
11 |
10992 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
44 |
13 |
11114 |
406.9 |
-3.9 |
0.368 |
1 |
3 |
0 |
0.000 |
5 |
11 |
|
G |
39 |
12 |
11145 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
10992 |
389.7 |
2.1 |
0.797 |
2 |
1 |
0 |
0.000 |
12 |
|
G |
45 |
16 |
11145 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
10779 |
385.5 |
2.0 |
0.852 |
3 |
3 |
0 |
0.000 |
13 |
|
H |
43 |
15 |
10884 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
11074 |
380.2 |
0.5 |
0.659 |
2 |
2 |
0 |
0.000 |
14 |
|
H |
39 |
14 |
10884 |
◊ |
F |
x,y,z |
1_555 |
42 |
13 |
10995 |
366.3 |
0.7 |
0.609 |
3 |
3 |
0 |
0.000 |
15 |
|
D |
40 |
13 |
11063 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
10992 |
351.6 |
1.8 |
0.775 |
1 |
4 |
0 |
0.000 |
16 |
|
F |
37 |
13 |
10995 |
◊ |
C |
x,y,z |
1_555 |
39 |
13 |
11114 |
349.3 |
1.9 |
0.773 |
1 |
3 |
0 |
0.000 |
17 |
|
E |
38 |
13 |
10779 |
◊ |
D |
x,y,z |
1_555 |
36 |
14 |
11063 |
346.6 |
0.2 |
0.728 |
1 |
1 |
0 |
0.000 |
18 |
|
C |
32 |
14 |
11114 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
11074 |
323.2 |
1.4 |
0.642 |
4 |
3 |
0 |
0.000 |
Average: |
361.6 |
1.3 |
0.729 |
2 |
3 |
0 |
0.000 |
6 |
19 |
|
F |
39 |
14 |
10995 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
13 |
10779 |
370.1 |
-6.1 |
0.126 |
1 |
0 |
0 |
0.000 |
7 |
20 |
|
A |
32 |
10 |
11074 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
37 |
11 |
10884 |
298.7 |
-0.2 |
0.651 |
2 |
6 |
0 |
0.000 |
8 |
21 |
|
B |
37 |
10 |
10992 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
9 |
10779 |
280.9 |
-3.2 |
0.294 |
1 |
0 |
0 |
0.000 |
9 |
22 |
|
[PXP]A:501 |
16 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
11074 |
273.1 |
-1.3 |
0.631 |
5 |
0 |
0 |
0.279 |
23 |
|
[PXP]G:507 |
16 |
1 |
391 |
f |
G |
x,y,z |
1_555 |
48 |
18 |
11145 |
271.4 |
-0.8 |
0.617 |
3 |
0 |
0 |
0.279 |
24 |
|
[PXP]B:502 |
16 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
43 |
19 |
10992 |
269.6 |
-1.5 |
0.572 |
6 |
0 |
0 |
0.279 |
25 |
|
[PXP]H:508 |
16 |
1 |
391 |
f |
H |
x,y,z |
1_555 |
42 |
18 |
10884 |
267.5 |
-0.7 |
0.614 |
4 |
0 |
0 |
0.279 |
26 |
|
[PXP]D:504 |
16 |
1 |
394 |
f |
D |
x,y,z |
1_555 |
43 |
18 |
11063 |
267.1 |
-1.4 |
0.622 |
5 |
0 |
0 |
0.279 |
27 |
|
[PXP]E:505 |
16 |
1 |
393 |
f |
E |
x,y,z |
1_555 |
48 |
19 |
10779 |
267.1 |
-1.1 |
0.635 |
5 |
0 |
0 |
0.279 |
28 |
|
[PXP]C:503 |
16 |
1 |
392 |
f |
C |
x,y,z |
1_555 |
45 |
18 |
11114 |
260.7 |
-1.0 |
0.631 |
5 |
0 |
0 |
0.279 |
29 |
|
[PXP]F:506 |
16 |
1 |
392 |
f |
F |
x,y,z |
1_555 |
46 |
18 |
10995 |
257.3 |
-0.4 |
0.623 |
4 |
0 |
0 |
0.279 |
Average: |
266.7 |
-1.0 |
0.618 |
5 |
0 |
0 |
0.279 |
10 |
30 |
|
D |
27 |
7 |
11063 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
31 |
9 |
11145 |
244.0 |
-0.9 |
0.605 |
0 |
2 |
0 |
0.000 |
11 |
31 |
|
H |
24 |
8 |
10884 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
9 |
11114 |
200.4 |
0.7 |
0.769 |
2 |
3 |
0 |
0.000 |
12 |
32 |
|
D |
23 |
9 |
11063 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
29 |
10 |
10995 |
184.9 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.000 |
13 |
33 |
|
D |
20 |
8 |
11063 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
18 |
4 |
11114 |
173.2 |
-1.9 |
0.350 |
1 |
2 |
0 |
0.000 |
34 |
|
B |
15 |
5 |
10992 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
11074 |
126.2 |
-0.9 |
0.471 |
1 |
1 |
0 |
0.000 |
Average: |
149.7 |
-1.4 |
0.410 |
1 |
2 |
0 |
0.000 |
14 |
35 |
|
H |
20 |
5 |
10884 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
7 |
11145 |
166.5 |
-2.3 |
0.325 |
0 |
0 |
0 |
0.000 |
15 |
36 |
|
A |
24 |
11 |
11074 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
6 |
11114 |
148.6 |
1.4 |
0.794 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
C |
17 |
7 |
11114 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
6 |
10779 |
140.4 |
-1.2 |
0.452 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
H |
13 |
5 |
10884 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
10992 |
102.2 |
-0.6 |
0.538 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[SO4]E:603 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
10779 |
99.2 |
-13.6 |
0.903 |
3 |
0 |
0 |
0.225 |
19 |
40 |
|
[SO4]C:601 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
11114 |
94.9 |
-14.0 |
0.751 |
3 |
0 |
0 |
0.307 |
20 |
41 |
|
[SO4]E:602 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
10995 |
77.3 |
-8.0 |
0.973 |
2 |
0 |
0 |
0.134 |
21 |
42 |
|
[PXP]H:508 |
6 |
1 |
391 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11145 |
56.7 |
-0.5 |
0.537 |
3 |
0 |
0 |
0.090 |
43 |
|
[PXP]D:504 |
4 |
1 |
394 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11114 |
56.0 |
0.1 |
0.579 |
2 |
0 |
0 |
0.090 |
44 |
|
[PXP]G:507 |
6 |
1 |
391 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
10884 |
55.3 |
0.2 |
0.586 |
2 |
0 |
0 |
0.090 |
45 |
|
[PXP]E:505 |
6 |
1 |
393 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10995 |
50.8 |
0.1 |
0.614 |
2 |
0 |
0 |
0.090 |
Average: |
54.7 |
-0.0 |
0.579 |
2 |
0 |
0 |
0.090 |
22 |
46 |
|
[PXP]A:501 |
5 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10992 |
53.7 |
0.2 |
0.601 |
2 |
0 |
0 |
0.056 |
47 |
|
[PXP]C:503 |
6 |
1 |
392 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11063 |
53.5 |
0.1 |
0.608 |
2 |
0 |
0 |
0.056 |
48 |
|
[PXP]B:502 |
6 |
1 |
392 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11074 |
52.9 |
0.0 |
0.609 |
2 |
0 |
0 |
0.056 |
Average: |
53.4 |
0.1 |
0.606 |
2 |
0 |
0 |
0.056 |
23 |
49 |
|
[PXP]F:506 |
5 |
1 |
392 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10779 |
53.3 |
-0.5 |
0.507 |
3 |
0 |
0 |
0.028 |
24 |
50 |
|
[SO4]E:602 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
10779 |
47.6 |
-5.9 |
0.883 |
2 |
0 |
0 |
0.102 |
25 |
51 |
|
A |
8 |
5 |
11074 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
10995 |
40.7 |
-0.5 |
0.484 |
0 |
0 |
0 |
0.000 |
26 |
52 |
|
[SO4]E:603 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
10995 |
36.3 |
-4.0 |
0.956 |
1 |
0 |
0 |
0.067 |
27 |
53 |
|
[SO4]C:601 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11063 |
32.0 |
-3.7 |
0.906 |
2 |
0 |
0 |
0.092 |
28 |
54 |
|
D |
6 |
4 |
11063 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
4 |
10779 |
31.4 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
29 |
55 |
|
A |
2 |
2 |
11074 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
11145 |
21.6 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
[SO4]E:602 |
1 |
1 |
185 |
f |
[PXP]F:506 |
x,y,z |
1_555 |
2 |
1 |
392 |
21.3 |
-3.0 |
0.597 |
1 |
0 |
0 |
0.052 |
31 |
57 |
|
H |
1 |
1 |
10884 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
11114 |
19.5 |
0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
58 |
|
E |
3 |
2 |
10779 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10992 |
16.1 |
0.5 |
0.687 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
1 |
1 |
11145 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11063 |
11.8 |
0.5 |
0.845 |
0 |
0 |
0 |
0.000 |
60 |
|
F |
1 |
1 |
10995 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11074 |
6.8 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[SO4]C:601 |
4 |
1 |
186 |
f |
[PXP]C:503 |
x,y,z |
1_555 |
2 |
1 |
392 |
18.7 |
-2.0 |
0.678 |
0 |
0 |
0 |
0.041 |
33 |
62 |
|
[SO4]E:603 |
4 |
1 |
185 |
f |
[PXP]E:505 |
x,y,z |
1_555 |
2 |
1 |
393 |
18.4 |
-1.9 |
0.693 |
0 |
0 |
0 |
0.029 |
34 |
63 |
|
B |
2 |
1 |
10992 |
◊ |
[SO4]C:601 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
186 |
11.5 |
-1.2 |
0.803 |
0 |
0 |
0 |
0.000 |
|