| ## |
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 |
|
D |
153 |
40 |
12369 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
141 |
40 |
12592 |
1344.2 |
-12.0 |
0.255 |
12 |
0 |
0 |
0.100 |
2 |
|
F |
118 |
34 |
12531 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
115 |
34 |
12090 |
1084.2 |
-6.0 |
0.463 |
11 |
0 |
0 |
0.100 |
| Average: |
1214.2 |
-9.0 |
0.359 |
12 |
0 |
0 |
0.100 |
| 2 |
3 |
|
H |
105 |
29 |
12090 |
◊ |
G |
x,y,z |
1_555 |
104 |
28 |
11556 |
923.2 |
-1.2 |
0.750 |
8 |
6 |
0 |
0.000 |
4 |
|
F |
87 |
24 |
12531 |
◊ |
E |
x,y,z |
1_555 |
91 |
26 |
11617 |
838.4 |
-1.4 |
0.657 |
11 |
7 |
0 |
0.000 |
5 |
|
D |
86 |
25 |
12369 |
◊ |
C |
x,y,z |
1_555 |
89 |
26 |
11630 |
825.7 |
-1.0 |
0.677 |
7 |
6 |
0 |
0.000 |
6 |
|
B |
87 |
25 |
12592 |
◊ |
A |
x,y,z |
1_555 |
92 |
25 |
11501 |
823.8 |
-1.4 |
0.686 |
10 |
8 |
0 |
0.000 |
| Average: |
852.8 |
-1.3 |
0.693 |
9 |
7 |
0 |
0.000 |
| 3 |
7 |
|
G |
56 |
14 |
11556 |
◊ |
F |
x,y,z |
1_555 |
51 |
16 |
12531 |
531.9 |
-3.5 |
0.383 |
4 |
1 |
0 |
0.000 |
8 |
|
D |
55 |
16 |
12369 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
11501 |
530.6 |
-4.5 |
0.333 |
6 |
0 |
0 |
0.000 |
9 |
|
C |
55 |
14 |
11630 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
12592 |
517.9 |
-4.9 |
0.303 |
6 |
0 |
0 |
0.000 |
10 |
|
H |
53 |
16 |
12090 |
◊ |
E |
x,y,z |
1_555 |
58 |
14 |
11617 |
516.6 |
-3.6 |
0.430 |
5 |
0 |
0 |
0.000 |
| Average: |
524.3 |
-4.1 |
0.362 |
5 |
0 |
0 |
0.000 |
| 4 |
11 |
|
G |
44 |
10 |
11556 |
◊ |
D |
x,y,z |
1_555 |
38 |
9 |
12369 |
361.7 |
-4.7 |
0.239 |
1 |
0 |
0 |
0.000 |
12 |
|
F |
37 |
10 |
12531 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
11501 |
353.4 |
-5.5 |
0.162 |
2 |
1 |
0 |
0.000 |
| Average: |
357.5 |
-5.1 |
0.200 |
2 |
1 |
0 |
0.000 |
| 5 |
13 |
|
E |
36 |
14 |
11617 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
12592 |
291.9 |
-2.1 |
0.385 |
0 |
1 |
0 |
0.000 |
14 |
|
H |
23 |
8 |
12090 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
11630 |
206.7 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
| Average: |
249.3 |
-1.4 |
0.434 |
1 |
1 |
0 |
0.000 |
| 6 |
15 |
|
A |
20 |
6 |
11501 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
8 |
12369 |
191.8 |
-1.7 |
0.363 |
1 |
2 |
0 |
0.000 |
16 |
|
F |
20 |
9 |
12531 |
◊ |
G |
x,y,z-1 |
1_554 |
20 |
6 |
11556 |
180.1 |
-1.8 |
0.371 |
1 |
1 |
0 |
0.000 |
| Average: |
185.9 |
-1.8 |
0.367 |
1 |
2 |
0 |
0.000 |
| 7 |
17 |
|
E |
24 |
5 |
11617 |
◊ |
C |
x,y,z |
1_555 |
24 |
5 |
11630 |
179.0 |
-1.7 |
0.372 |
0 |
0 |
0 |
0.000 |
| 8 |
18 |
|
F |
15 |
6 |
12531 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
12369 |
158.6 |
-0.8 |
0.494 |
2 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[FMT]G:303 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
22 |
8 |
11556 |
104.6 |
-0.9 |
0.340 |
1 |
0 |
0 |
0.002 |
| 10 |
20 |
|
[FMT]A:303 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
11501 |
104.0 |
-1.0 |
0.333 |
1 |
0 |
0 |
0.002 |
| 11 |
21 |
|
G |
16 |
4 |
11556 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11630 |
99.1 |
-1.2 |
0.387 |
1 |
0 |
0 |
0.000 |
22 |
|
E |
8 |
3 |
11617 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11501 |
87.0 |
-1.5 |
0.264 |
1 |
0 |
0 |
0.000 |
| Average: |
93.1 |
-1.4 |
0.326 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[FMT]E:303 |
3 |
1 |
150 |
f |
E |
x,y,z |
1_555 |
22 |
10 |
11617 |
97.3 |
-0.4 |
0.363 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[FMT]C:303 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
11630 |
96.2 |
-0.9 |
0.328 |
1 |
0 |
0 |
0.002 |
| 14 |
25 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
11630 |
44.2 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.379 |
26 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12592 |
44.0 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.379 |
27 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
11617 |
44.0 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.379 |
28 |
|
[ZN]H:302 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
12090 |
43.9 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.379 |
29 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11501 |
43.0 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.379 |
30 |
|
[ZN]F:302 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
5 |
12531 |
43.0 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.379 |
31 |
|
[ZN]G:302 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
11556 |
42.4 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.379 |
32 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
12369 |
40.7 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.379 |
| Average: |
43.2 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.379 |
| 15 |
33 |
|
[ZN]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
12531 |
40.8 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.370 |
34 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
11630 |
40.1 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.370 |
35 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12592 |
40.1 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.370 |
36 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
11617 |
39.9 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.370 |
37 |
|
[ZN]H:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
4 |
12090 |
39.8 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.370 |
38 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
11501 |
39.0 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.370 |
39 |
|
[ZN]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
11556 |
38.6 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.370 |
40 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12369 |
38.6 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.370 |
| Average: |
39.6 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.370 |
| 16 |
41 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.089 |
| 17 |
42 |
|
[ZN]F:302 |
1 |
1 |
98 |
f |
[ZN]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| 18 |
43 |
|
[ZN]E:302 |
1 |
1 |
98 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 19 |
44 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.079 |
| 20 |
45 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 21 |
46 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| 22 |
47 |
|
[ZN]H:302 |
1 |
1 |
98 |
f |
[ZN]H:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.6 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.078 |
| 23 |
48 |
|
[ZN]G:302 |
1 |
1 |
98 |
f |
[ZN]G:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 24 |
49 |
|
E |
2 |
1 |
11617 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
11630 |
14.9 |
-0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
12592 |
12.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.038 |
51 |
|
D |
2 |
1 |
12369 |
◊ |
[ZN]B:301 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
6.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.038 |
52 |
|
[ZN]F:301 |
1 |
1 |
98 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12090 |
3.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
7.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 26 |
53 |
|
E |
2 |
1 |
11617 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
11556 |
10.5 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
B |
4 |
3 |
12592 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
2 |
11630 |
10.4 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
3 |
2 |
11617 |
◊ |
H |
x,y,z-1 |
1_554 |
4 |
2 |
12090 |
9.8 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| Average: |
10.1 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 28 |
56 |
|
[FMT]G:303 |
2 |
1 |
150 |
f |
[ZN]G:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 29 |
57 |
|
[FMT]A:303 |
2 |
1 |
150 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 30 |
58 |
|
G |
1 |
1 |
11556 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
12090 |
6.9 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
1 |
1 |
11501 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
12592 |
0.6 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
F |
2 |
1 |
12531 |
◊ |
[ZN]H:301 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
6.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.016 |
61 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12592 |
5.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
6.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 32 |
62 |
|
[FMT]C:303 |
2 |
1 |
150 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.003 |
63 |
|
[FMT]A:303 |
1 |
1 |
150 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
4.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 33 |
64 |
|
[FMT]E:303 |
1 |
1 |
150 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.002 |
| 34 |
65 |
|
[FMT]G:303 |
1 |
1 |
150 |
f |
[ZN]G:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|