| ## |
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 |
57 |
12 |
2806 |
◊ |
G |
x,y,z |
1_555 |
58 |
12 |
2825 |
555.4 |
-5.8 |
0.688 |
41 |
0 |
0 |
1.000 |
2 |
|
F |
56 |
12 |
2809 |
◊ |
E |
x,y,z |
1_555 |
55 |
12 |
2803 |
553.1 |
-6.4 |
0.657 |
42 |
0 |
0 |
1.000 |
| Average: |
554.2 |
-6.1 |
0.673 |
42 |
0 |
0 |
1.000 |
| 2 |
3 |
|
F |
54 |
8 |
2809 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
5709 |
480.2 |
-3.6 |
0.565 |
12 |
0 |
0 |
0.217 |
4 |
|
E |
51 |
7 |
2803 |
◊ |
B |
x,y,z |
1_555 |
42 |
11 |
5773 |
411.1 |
-2.2 |
0.704 |
11 |
0 |
0 |
0.217 |
| Average: |
445.6 |
-2.9 |
0.635 |
12 |
0 |
0 |
0.217 |
| 3 |
5 |
|
G |
52 |
7 |
2825 |
◊ |
D |
x,y,z |
1_555 |
45 |
12 |
5783 |
425.2 |
-1.5 |
0.713 |
8 |
0 |
0 |
0.224 |
6 |
|
H |
49 |
7 |
2806 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
5142 |
405.6 |
-2.5 |
0.699 |
9 |
0 |
0 |
0.224 |
| Average: |
415.4 |
-2.0 |
0.706 |
9 |
0 |
0 |
0.224 |
| 4 |
7 |
|
D |
36 |
9 |
5783 |
◊ |
B |
-y+1,-x+1,-z+1/3 |
10_665 |
43 |
9 |
5773 |
421.3 |
-7.1 |
0.255 |
3 |
5 |
0 |
0.020 |
8 |
|
C |
34 |
8 |
5142 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
29 |
7 |
5709 |
307.6 |
-5.7 |
0.308 |
1 |
2 |
0 |
0.020 |
| Average: |
364.5 |
-6.4 |
0.281 |
2 |
4 |
0 |
0.020 |
| 5 |
9 |
|
H |
35 |
6 |
2806 |
◊ |
D |
x,y,z |
1_555 |
42 |
12 |
5783 |
348.7 |
-4.3 |
0.521 |
8 |
0 |
0 |
0.152 |
| 6 |
10 |
|
G |
35 |
6 |
2825 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
5142 |
344.4 |
-4.4 |
0.535 |
8 |
0 |
0 |
0.204 |
11 |
|
F |
36 |
7 |
2809 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
5773 |
320.4 |
-4.8 |
0.523 |
9 |
0 |
0 |
0.204 |
12 |
|
E |
31 |
6 |
2803 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
5709 |
283.4 |
-3.6 |
0.597 |
6 |
0 |
0 |
0.204 |
| Average: |
316.1 |
-4.3 |
0.551 |
8 |
0 |
0 |
0.204 |
| 7 |
13 |
|
A |
33 |
9 |
5709 |
◊ |
B |
y,x-1,-z+1/3 |
7_545 |
30 |
7 |
5773 |
254.9 |
-0.0 |
0.708 |
3 |
1 |
0 |
0.000 |
| 8 |
14 |
|
D |
19 |
6 |
5783 |
◊ |
D |
-x+1,-y,z |
4_655 |
19 |
6 |
5783 |
176.3 |
-2.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
B |
13 |
6 |
5773 |
◊ |
B |
-y+2,-x+2,-z+1/3 |
10_775 |
13 |
6 |
5773 |
120.3 |
-3.0 |
0.289 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
G |
13 |
1 |
2825 |
◊ |
F |
-x+y+1,y,-z |
11_655 |
12 |
1 |
2809 |
104.0 |
2.7 |
0.833 |
2 |
0 |
0 |
0.000 |
17 |
|
G |
12 |
1 |
2825 |
◊ |
F |
-y+1,-x+1,-z+1/3 |
10_665 |
14 |
1 |
2809 |
101.5 |
2.7 |
0.835 |
2 |
0 |
0 |
0.000 |
| Average: |
102.8 |
2.7 |
0.834 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
D |
15 |
5 |
5783 |
◊ |
B |
x-1,y-1,z |
1_445 |
6 |
2 |
5773 |
103.7 |
-2.7 |
0.140 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
H |
12 |
1 |
2806 |
◊ |
E |
-x+y+1,y,-z |
11_655 |
15 |
1 |
2803 |
99.8 |
2.5 |
0.830 |
1 |
0 |
0 |
0.000 |
20 |
|
H |
13 |
1 |
2806 |
◊ |
E |
-y+1,-x+1,-z+1/3 |
10_665 |
11 |
1 |
2803 |
98.9 |
2.4 |
0.826 |
2 |
0 |
0 |
0.000 |
| Average: |
99.3 |
2.4 |
0.828 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
A |
10 |
5 |
5709 |
◊ |
A |
-x+y+2,y,-z |
11_755 |
10 |
5 |
5709 |
97.1 |
-2.8 |
0.261 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
D |
5 |
4 |
5783 |
◊ |
D |
-y,-x,-z+1/3 |
10_555 |
5 |
4 |
5783 |
91.8 |
-2.9 |
0.058 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
H |
12 |
2 |
2806 |
◊ |
B |
-y+1,-x+1,-z+1/3 |
10_665 |
7 |
3 |
5773 |
90.8 |
-2.2 |
0.398 |
0 |
0 |
0 |
0.005 |
| 16 |
24 |
|
D |
10 |
4 |
5783 |
◊ |
D |
-x+y+1,y,-z |
11_655 |
10 |
4 |
5783 |
87.4 |
-1.4 |
0.471 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
A |
8 |
5 |
5709 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
10_665 |
9 |
5 |
5709 |
83.7 |
-0.5 |
0.638 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
G |
8 |
1 |
2825 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
11 |
3 |
5709 |
81.4 |
-2.1 |
0.423 |
0 |
0 |
0 |
0.000 |
27 |
|
F |
3 |
1 |
2809 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
10_665 |
4 |
1 |
5783 |
26.2 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
53.8 |
-1.3 |
0.440 |
0 |
0 |
0 |
0.001 |
| 19 |
28 |
|
E |
8 |
1 |
2803 |
◊ |
C |
-x+y+1,y,-z |
11_655 |
7 |
3 |
5142 |
66.4 |
-0.9 |
0.552 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
C |
6 |
2 |
5142 |
◊ |
C |
-x+y,y,-z |
11_555 |
6 |
2 |
5142 |
60.1 |
-0.9 |
0.502 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
7 |
4 |
5773 |
◊ |
A |
-x+2,-y+1,z |
4_765 |
3 |
2 |
5709 |
56.6 |
0.4 |
0.772 |
2 |
3 |
0 |
0.000 |
| 22 |
31 |
|
E |
8 |
2 |
2803 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
10_665 |
6 |
1 |
5783 |
45.3 |
0.2 |
0.687 |
1 |
0 |
0 |
0.000 |
| 23 |
32 |
|
H |
6 |
2 |
2806 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
5 |
1 |
5709 |
39.3 |
1.2 |
0.774 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
H |
6 |
1 |
2806 |
◊ |
F |
-y+1,-x+1,-z+1/3 |
10_665 |
6 |
1 |
2809 |
36.4 |
-0.7 |
0.514 |
0 |
0 |
0 |
0.002 |
34 |
|
G |
5 |
1 |
2825 |
◊ |
E |
-x+y+1,y,-z |
11_655 |
5 |
1 |
2803 |
34.3 |
-1.0 |
0.475 |
0 |
0 |
0 |
0.002 |
| Average: |
35.3 |
-0.8 |
0.494 |
0 |
0 |
0 |
0.002 |
| 25 |
35 |
|
H |
7 |
1 |
2806 |
◊ |
F |
-x+y+1,y,-z |
11_655 |
6 |
1 |
2809 |
34.6 |
-1.3 |
0.454 |
0 |
0 |
0 |
0.000 |
36 |
|
G |
5 |
1 |
2825 |
◊ |
E |
-y+1,-x+1,-z+1/3 |
10_665 |
7 |
1 |
2803 |
32.7 |
-1.5 |
0.436 |
0 |
0 |
0 |
0.000 |
| Average: |
33.7 |
-1.4 |
0.445 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
C |
3 |
3 |
5142 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
4 |
5709 |
33.9 |
-1.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
C |
6 |
3 |
5142 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
5773 |
32.5 |
-0.8 |
0.504 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
G |
5 |
2 |
2825 |
◊ |
B |
-y+1,-x+1,-z+1/3 |
10_665 |
4 |
1 |
5773 |
24.2 |
0.8 |
0.725 |
0 |
0 |
0 |
0.000 |
40 |
|
F |
4 |
1 |
2809 |
◊ |
C |
-x+y+1,y,-z |
11_655 |
3 |
1 |
5142 |
24.0 |
0.8 |
0.735 |
0 |
0 |
0 |
0.000 |
| Average: |
24.1 |
0.8 |
0.730 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[ZN]B:105 |
1 |
1 |
98 |
f |
[ZN]B:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.0 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 30 |
42 |
|
[ZN]C:106 |
1 |
1 |
98 |
f |
[ZN]C:105 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 31 |
43 |
|
[ZN]D:108 |
1 |
1 |
98 |
f |
[ZN]D:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 32 |
44 |
|
[ZN]A:105 |
1 |
1 |
98 |
f |
[ZN]A:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.234 |
| 33 |
45 |
|
C |
1 |
1 |
5142 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
5709 |
3.7 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[ZN]A:104 |
1 |
1 |
98 |
f |
B |
y,x-1,-z+1/3 |
7_545 |
1 |
1 |
5773 |
1.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
|