## |
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 |
655 |
145 |
32406 |
◊ |
I |
x,y,z |
1_555 |
661 |
145 |
32443 |
6459.7 |
-76.0 |
0.973 |
365 |
0 |
0 |
0.999 |
2 |
2 |
|
F |
234 |
56 |
7769 |
◊ |
E |
x,y,z |
1_555 |
264 |
60 |
8630 |
2518.9 |
-41.8 |
0.041 |
22 |
3 |
0 |
1.000 |
3 |
|
B |
237 |
53 |
6972 |
◊ |
A |
x,y,z |
1_555 |
255 |
59 |
8654 |
2427.6 |
-38.9 |
0.057 |
20 |
3 |
0 |
1.000 |
Average: |
2473.3 |
-40.4 |
0.049 |
21 |
3 |
0 |
1.000 |
3 |
4 |
|
D |
256 |
63 |
8270 |
◊ |
C |
x,y,z |
1_555 |
247 |
60 |
8893 |
2470.4 |
-45.0 |
0.022 |
21 |
6 |
0 |
0.736 |
5 |
|
H |
253 |
62 |
8307 |
◊ |
G |
x,y,z |
1_555 |
243 |
58 |
8915 |
2462.2 |
-45.1 |
0.023 |
20 |
7 |
0 |
0.736 |
Average: |
2466.3 |
-45.1 |
0.022 |
21 |
7 |
0 |
0.736 |
4 |
6 |
|
J |
109 |
22 |
32406 |
◊ |
A |
x,y,z |
1_555 |
81 |
23 |
8654 |
809.5 |
-4.4 |
0.839 |
12 |
0 |
0 |
0.351 |
7 |
|
I |
101 |
19 |
32443 |
◊ |
E |
x,y,z |
1_555 |
74 |
21 |
8630 |
760.5 |
-7.0 |
0.779 |
12 |
0 |
0 |
0.351 |
Average: |
785.0 |
-5.7 |
0.809 |
12 |
0 |
0 |
0.351 |
5 |
8 |
|
I |
94 |
19 |
32443 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
8654 |
727.7 |
-11.7 |
0.595 |
13 |
0 |
0 |
0.982 |
9 |
|
J |
85 |
17 |
32406 |
◊ |
E |
x,y,z |
1_555 |
72 |
21 |
8630 |
680.4 |
-13.5 |
0.514 |
13 |
0 |
0 |
0.982 |
Average: |
704.1 |
-12.6 |
0.555 |
13 |
0 |
0 |
0.982 |
6 |
10 |
|
G |
62 |
16 |
8915 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
8654 |
665.1 |
-7.7 |
0.286 |
8 |
0 |
0 |
0.406 |
11 |
|
C |
62 |
16 |
8893 |
◊ |
E |
x,y,z |
1_555 |
63 |
20 |
8630 |
664.9 |
-8.2 |
0.290 |
8 |
0 |
0 |
0.406 |
Average: |
665.0 |
-7.9 |
0.288 |
8 |
0 |
0 |
0.406 |
7 |
12 |
|
E |
61 |
15 |
8630 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8654 |
613.0 |
-9.7 |
0.237 |
1 |
4 |
0 |
0.073 |
8 |
13 |
|
D |
54 |
12 |
8270 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
6972 |
487.4 |
-1.6 |
0.695 |
6 |
4 |
0 |
0.049 |
14 |
|
H |
50 |
12 |
8307 |
◊ |
F |
x,y,z |
1_555 |
50 |
12 |
7769 |
473.2 |
-1.4 |
0.668 |
5 |
2 |
0 |
0.049 |
Average: |
480.3 |
-1.5 |
0.681 |
6 |
3 |
0 |
0.049 |
9 |
15 |
|
J |
62 |
13 |
32406 |
◊ |
H |
x,y,z |
1_555 |
48 |
15 |
8307 |
473.4 |
-10.9 |
0.450 |
12 |
0 |
0 |
0.543 |
16 |
|
I |
65 |
14 |
32443 |
◊ |
D |
x,y,z |
1_555 |
51 |
16 |
8270 |
453.0 |
-9.1 |
0.535 |
11 |
0 |
0 |
0.543 |
Average: |
463.2 |
-10.0 |
0.493 |
12 |
0 |
0 |
0.543 |
10 |
17 |
|
I |
63 |
14 |
32443 |
◊ |
G |
x,y,z |
1_555 |
49 |
18 |
8915 |
466.9 |
-6.1 |
0.616 |
12 |
0 |
0 |
0.282 |
18 |
|
J |
58 |
13 |
32406 |
◊ |
C |
x,y,z |
1_555 |
45 |
17 |
8893 |
440.5 |
-5.2 |
0.656 |
9 |
0 |
0 |
0.282 |
Average: |
453.7 |
-5.6 |
0.636 |
11 |
0 |
0 |
0.282 |
11 |
19 |
|
J |
58 |
10 |
32406 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
6972 |
440.7 |
-9.2 |
0.483 |
8 |
0 |
0 |
1.000 |
20 |
|
I |
40 |
8 |
32443 |
◊ |
F |
x,y,z |
1_555 |
42 |
15 |
7769 |
355.5 |
-7.9 |
0.397 |
8 |
0 |
0 |
1.000 |
Average: |
398.1 |
-8.6 |
0.440 |
8 |
0 |
0 |
1.000 |
12 |
21 |
|
J |
55 |
11 |
32406 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
8915 |
398.0 |
-3.6 |
0.705 |
7 |
0 |
0 |
0.302 |
22 |
|
I |
47 |
10 |
32443 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
8893 |
383.2 |
-4.8 |
0.621 |
7 |
0 |
0 |
0.302 |
Average: |
390.6 |
-4.2 |
0.663 |
7 |
0 |
0 |
0.302 |
13 |
23 |
|
C |
43 |
15 |
8893 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
7769 |
385.2 |
-4.7 |
0.324 |
4 |
0 |
0 |
0.248 |
24 |
|
G |
41 |
14 |
8915 |
◊ |
B |
x,y,z |
1_555 |
48 |
12 |
6972 |
383.4 |
-4.2 |
0.350 |
5 |
0 |
0 |
0.248 |
Average: |
384.3 |
-4.4 |
0.337 |
5 |
0 |
0 |
0.248 |
14 |
25 |
|
J |
40 |
8 |
32406 |
◊ |
D |
x,y,z |
1_555 |
33 |
11 |
8270 |
322.5 |
-3.7 |
0.644 |
5 |
0 |
0 |
0.030 |
26 |
|
I |
42 |
8 |
32443 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
8307 |
312.9 |
-2.3 |
0.729 |
5 |
0 |
0 |
0.030 |
Average: |
317.7 |
-3.0 |
0.687 |
5 |
0 |
0 |
0.030 |
15 |
27 |
|
F |
27 |
8 |
7769 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
37 |
9 |
8893 |
289.1 |
0.1 |
0.674 |
2 |
4 |
0 |
0.004 |
16 |
28 |
|
J |
44 |
12 |
32406 |
◊ |
F |
x,y,z |
1_555 |
29 |
12 |
7769 |
281.8 |
-3.5 |
0.642 |
3 |
0 |
0 |
0.059 |
29 |
|
I |
37 |
11 |
32443 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
6972 |
249.1 |
-1.6 |
0.714 |
4 |
0 |
0 |
0.059 |
Average: |
265.4 |
-2.6 |
0.678 |
4 |
0 |
0 |
0.059 |
17 |
30 |
|
H |
37 |
12 |
8307 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
6972 |
276.9 |
-0.1 |
0.726 |
5 |
1 |
0 |
0.049 |
31 |
|
D |
34 |
11 |
8270 |
◊ |
F |
x,y,z |
1_555 |
27 |
7 |
7769 |
238.0 |
-0.3 |
0.678 |
3 |
2 |
0 |
0.049 |
Average: |
257.4 |
-0.2 |
0.702 |
4 |
2 |
0 |
0.049 |
18 |
32 |
|
F |
30 |
8 |
7769 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
8 |
8270 |
273.8 |
-0.7 |
0.616 |
2 |
1 |
0 |
0.006 |
19 |
33 |
|
G |
23 |
7 |
8915 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
8893 |
168.0 |
1.3 |
0.784 |
2 |
0 |
0 |
0.000 |
20 |
34 |
|
[ELJ]H:203 |
16 |
1 |
587 |
◊ |
H |
x,y,z |
1_555 |
19 |
5 |
8307 |
163.8 |
0.6 |
0.285 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[ELJ]H:204 |
16 |
1 |
588 |
f |
H |
x,y,z |
1_555 |
16 |
4 |
8307 |
141.9 |
-1.0 |
0.196 |
0 |
0 |
0 |
0.024 |
22 |
36 |
|
[ELJ]D:1102 |
17 |
1 |
575 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
8307 |
133.7 |
2.1 |
0.354 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[ELJ]D:1102 |
16 |
1 |
575 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
8270 |
132.0 |
-0.3 |
0.243 |
0 |
0 |
0 |
0.011 |
24 |
38 |
|
[ELJ]H:204 |
8 |
1 |
588 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
8893 |
127.0 |
0.8 |
0.442 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
J |
15 |
3 |
32406 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
4 |
8270 |
118.1 |
-1.7 |
0.575 |
0 |
0 |
0 |
0.009 |
26 |
40 |
|
[ELJ]D:1102 |
10 |
1 |
575 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
8915 |
115.5 |
-0.2 |
0.306 |
0 |
0 |
0 |
0.002 |
27 |
41 |
|
J |
14 |
3 |
32406 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
8654 |
114.6 |
-0.8 |
0.622 |
1 |
0 |
0 |
0.000 |
28 |
42 |
|
E |
14 |
5 |
8630 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8893 |
104.0 |
1.2 |
0.774 |
3 |
0 |
0 |
0.000 |
29 |
43 |
|
J |
15 |
2 |
32406 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
15 |
2 |
32443 |
89.4 |
2.2 |
0.831 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[ELJ]H:203 |
6 |
1 |
587 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
8915 |
87.7 |
3.0 |
0.714 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[SO4]H:202 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
8307 |
86.5 |
-13.0 |
0.818 |
5 |
0 |
0 |
0.356 |
32 |
46 |
|
[ELJ]D:1102 |
8 |
1 |
575 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6972 |
82.2 |
0.5 |
0.407 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
I |
11 |
3 |
32443 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8270 |
81.9 |
-2.5 |
0.287 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[ELJ]H:204 |
8 |
1 |
588 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
7769 |
76.0 |
1.1 |
0.469 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[SO4]D:1101 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8270 |
72.0 |
-10.3 |
0.717 |
2 |
0 |
0 |
0.433 |
36 |
50 |
|
[ELJ]H:204 |
8 |
1 |
588 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8270 |
70.0 |
0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
I |
10 |
3 |
32443 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
3 |
32406 |
69.7 |
-0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[SO4]H:201 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
8307 |
64.7 |
-9.3 |
0.750 |
2 |
0 |
0 |
0.239 |
39 |
53 |
|
E |
9 |
3 |
8630 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8270 |
64.0 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
J |
9 |
1 |
32406 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
1 |
32406 |
62.9 |
1.0 |
0.728 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[SO4]H:201 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8915 |
59.1 |
-8.8 |
0.729 |
3 |
0 |
0 |
0.110 |
42 |
56 |
|
H |
9 |
2 |
8307 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
32443 |
55.3 |
-2.5 |
0.315 |
0 |
0 |
0 |
0.013 |
43 |
57 |
|
[SO4]D:1101 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8893 |
47.6 |
-7.1 |
0.739 |
3 |
0 |
0 |
0.112 |
44 |
58 |
|
G |
3 |
2 |
8915 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
2 |
32443 |
43.0 |
-0.7 |
0.573 |
2 |
0 |
0 |
0.000 |
45 |
59 |
|
[ELJ]H:203 |
2 |
1 |
587 |
f |
I |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
32443 |
42.7 |
-0.3 |
0.433 |
0 |
0 |
0 |
0.100 |
46 |
60 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
8630 |
40.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.174 |
47 |
61 |
|
H |
3 |
2 |
8307 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8893 |
38.5 |
-0.6 |
0.486 |
0 |
0 |
0 |
0.006 |
62 |
|
D |
3 |
2 |
8270 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8915 |
32.2 |
0.0 |
0.666 |
0 |
0 |
0 |
0.006 |
Average: |
35.3 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.006 |
48 |
63 |
|
H |
3 |
2 |
8307 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
32406 |
37.8 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
G |
5 |
3 |
8915 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8630 |
37.8 |
1.2 |
0.847 |
0 |
0 |
0 |
0.000 |
65 |
|
C |
1 |
1 |
8893 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8654 |
0.7 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
19.3 |
0.6 |
0.785 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
J |
3 |
2 |
32406 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
8893 |
28.5 |
-0.9 |
0.392 |
0 |
0 |
0 |
0.003 |
51 |
67 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8270 |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
68 |
|
I |
3 |
1 |
32443 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6972 |
22.2 |
1.3 |
0.845 |
0 |
0 |
0 |
0.000 |
53 |
69 |
|
[SO4]H:201 |
3 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32443 |
21.8 |
-3.4 |
0.359 |
0 |
0 |
0 |
0.017 |
54 |
70 |
|
I |
5 |
2 |
32443 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
32406 |
19.4 |
-0.6 |
0.504 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[SO4]D:1101 |
3 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32406 |
15.8 |
-2.5 |
0.404 |
0 |
0 |
0 |
0.013 |
56 |
72 |
|
H |
3 |
3 |
8307 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
8270 |
14.6 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
8893 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
58 |
74 |
|
C |
3 |
2 |
8893 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6972 |
9.6 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
75 |
|
G |
3 |
2 |
8915 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
7769 |
6.6 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
59 |
76 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7769 |
9.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
60 |
77 |
|
J |
1 |
1 |
32406 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32406 |
6.1 |
-0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
61 |
78 |
|
I |
1 |
1 |
32443 |
x |
I |
x-1,y,z |
1_455 |
1 |
1 |
32443 |
4.7 |
-0.5 |
0.182 |
0 |
0 |
0 |
0.000 |
62 |
79 |
|
[SO4]H:202 |
1 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8915 |
3.5 |
-0.5 |
0.750 |
0 |
0 |
0 |
0.005 |
63 |
80 |
|
I |
1 |
1 |
32443 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32443 |
0.3 |
-0.0 |
0.339 |
0 |
0 |
0 |
0.000 |
|