## |
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 |
|
B |
197 |
54 |
12964 |
◊ |
A |
x,y,z |
1_555 |
199 |
54 |
12586 |
1914.6 |
-19.7 |
0.113 |
27 |
4 |
0 |
0.272 |
2 |
|
F |
198 |
54 |
12836 |
◊ |
E |
x,y,z |
1_555 |
193 |
55 |
12920 |
1896.2 |
-17.7 |
0.146 |
26 |
4 |
0 |
0.272 |
3 |
|
D |
197 |
53 |
12979 |
◊ |
C |
x,y,z |
1_555 |
194 |
53 |
13192 |
1888.0 |
-18.7 |
0.113 |
27 |
2 |
0 |
0.272 |
4 |
|
H |
190 |
55 |
13343 |
◊ |
G |
x,y,z |
1_555 |
192 |
52 |
12966 |
1866.3 |
-18.2 |
0.111 |
25 |
1 |
0 |
0.272 |
Average: |
1891.3 |
-18.6 |
0.121 |
26 |
3 |
0 |
0.272 |
2 |
5 |
|
C |
94 |
32 |
13192 |
◊ |
A |
x,y,z |
1_555 |
97 |
31 |
12586 |
849.1 |
-5.3 |
0.496 |
8 |
2 |
0 |
0.000 |
6 |
|
H |
94 |
30 |
13343 |
◊ |
F |
x,y,z |
1_555 |
99 |
32 |
12836 |
839.6 |
-4.3 |
0.540 |
6 |
2 |
0 |
0.000 |
Average: |
844.3 |
-4.8 |
0.518 |
7 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
84 |
25 |
12979 |
◊ |
B |
x,y,z-1 |
1_554 |
84 |
23 |
12964 |
763.7 |
-4.1 |
0.536 |
7 |
8 |
0 |
0.000 |
8 |
|
G |
82 |
24 |
12966 |
◊ |
E |
x,y,z-1 |
1_554 |
78 |
24 |
12920 |
735.1 |
-4.2 |
0.526 |
8 |
8 |
0 |
0.000 |
Average: |
749.4 |
-4.1 |
0.531 |
8 |
8 |
0 |
0.000 |
4 |
9 |
|
A |
75 |
20 |
12586 |
◊ |
C |
x-1,y,z |
1_455 |
74 |
20 |
13192 |
744.7 |
2.0 |
0.883 |
12 |
11 |
0 |
0.000 |
5 |
10 |
|
E |
31 |
9 |
12920 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
12964 |
305.9 |
-3.1 |
0.391 |
1 |
1 |
0 |
0.000 |
6 |
11 |
|
C |
28 |
10 |
13192 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
31 |
13 |
12836 |
236.7 |
-0.8 |
0.616 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
26 |
12 |
12586 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
27 |
11 |
13343 |
228.5 |
-2.2 |
0.389 |
2 |
0 |
0 |
0.000 |
Average: |
232.6 |
-1.5 |
0.503 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
F |
18 |
7 |
12836 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
12964 |
191.2 |
-0.4 |
0.642 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[URI]B:303 |
17 |
1 |
375 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
12964 |
187.9 |
-0.4 |
0.408 |
4 |
0 |
0 |
0.042 |
15 |
|
[URI]G:302 |
17 |
1 |
376 |
f |
G |
x,y,z |
1_555 |
32 |
14 |
12966 |
187.9 |
0.1 |
0.482 |
4 |
0 |
0 |
0.042 |
16 |
|
[URI]H:302 |
17 |
1 |
376 |
f |
H |
x,y,z |
1_555 |
31 |
13 |
13343 |
187.8 |
-0.4 |
0.421 |
4 |
0 |
0 |
0.042 |
17 |
|
[URI]A:302 |
17 |
1 |
373 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
12586 |
187.6 |
-0.4 |
0.401 |
4 |
0 |
0 |
0.042 |
18 |
|
[URI]D:302 |
17 |
1 |
374 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
12979 |
187.5 |
-0.5 |
0.387 |
4 |
0 |
0 |
0.042 |
19 |
|
[URI]F:302 |
17 |
1 |
372 |
f |
F |
x,y,z |
1_555 |
29 |
13 |
12836 |
187.3 |
-0.4 |
0.408 |
4 |
0 |
0 |
0.042 |
20 |
|
[URI]C:302 |
17 |
1 |
370 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
13192 |
185.1 |
-0.5 |
0.374 |
4 |
0 |
0 |
0.042 |
21 |
|
[URI]E:302 |
17 |
1 |
370 |
f |
E |
x,y,z |
1_555 |
33 |
14 |
12920 |
184.6 |
-0.5 |
0.382 |
5 |
0 |
0 |
0.042 |
Average: |
187.0 |
-0.4 |
0.408 |
4 |
0 |
0 |
0.042 |
9 |
22 |
|
H |
22 |
7 |
13343 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
7 |
13192 |
168.2 |
-0.7 |
0.550 |
2 |
0 |
0 |
0.000 |
10 |
23 |
|
F |
11 |
6 |
12836 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12586 |
123.6 |
0.0 |
0.545 |
0 |
1 |
0 |
0.000 |
11 |
24 |
|
H |
17 |
6 |
13343 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
8 |
12836 |
122.4 |
1.1 |
0.630 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
[ACT]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
12586 |
118.0 |
-2.1 |
0.443 |
1 |
0 |
0 |
0.021 |
13 |
26 |
|
A |
22 |
6 |
12586 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
12 |
5 |
13343 |
115.1 |
1.8 |
0.844 |
1 |
1 |
0 |
0.000 |
14 |
27 |
|
[ACT]E:305 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
12920 |
107.2 |
-0.4 |
0.662 |
1 |
0 |
0 |
0.008 |
15 |
28 |
|
[ACT]E:303 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
24 |
6 |
12920 |
106.2 |
-1.5 |
0.556 |
0 |
0 |
0 |
0.013 |
16 |
29 |
|
[ACT]F:303 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
12836 |
104.5 |
-1.4 |
0.544 |
1 |
0 |
0 |
0.016 |
17 |
30 |
|
[ACT]G:303 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
19 |
6 |
12966 |
104.0 |
-1.3 |
0.541 |
1 |
0 |
0 |
0.016 |
18 |
31 |
|
[ACT]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12964 |
103.8 |
-1.6 |
0.522 |
2 |
0 |
0 |
0.020 |
19 |
32 |
|
[ACT]D:304 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
12979 |
103.0 |
-1.4 |
0.526 |
1 |
0 |
0 |
0.017 |
20 |
33 |
|
[ACT]E:304 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
12920 |
102.9 |
-0.0 |
0.758 |
2 |
0 |
0 |
0.008 |
21 |
34 |
|
[URI]B:303 |
12 |
1 |
375 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
12586 |
102.8 |
1.0 |
0.479 |
1 |
0 |
0 |
0.000 |
35 |
|
[URI]D:302 |
12 |
1 |
374 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
13192 |
101.6 |
1.0 |
0.466 |
1 |
0 |
0 |
0.000 |
36 |
|
[URI]G:302 |
12 |
1 |
376 |
◊ |
H |
x,y,z |
1_555 |
22 |
6 |
13343 |
101.4 |
0.9 |
0.454 |
1 |
0 |
0 |
0.000 |
37 |
|
[URI]A:302 |
12 |
1 |
373 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
12964 |
99.6 |
1.1 |
0.473 |
1 |
0 |
0 |
0.000 |
38 |
|
[URI]E:302 |
12 |
1 |
370 |
◊ |
F |
x,y,z |
1_555 |
22 |
6 |
12836 |
98.9 |
1.1 |
0.479 |
1 |
0 |
0 |
0.000 |
39 |
|
[URI]C:302 |
11 |
1 |
370 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
12979 |
97.8 |
1.2 |
0.500 |
1 |
0 |
0 |
0.000 |
40 |
|
[URI]H:302 |
10 |
1 |
376 |
◊ |
G |
x,y,z |
1_555 |
22 |
6 |
12966 |
96.2 |
1.1 |
0.515 |
1 |
0 |
0 |
0.000 |
41 |
|
[URI]F:302 |
11 |
1 |
372 |
◊ |
E |
x,y,z |
1_555 |
22 |
6 |
12920 |
95.7 |
1.0 |
0.502 |
1 |
0 |
0 |
0.000 |
Average: |
99.2 |
1.1 |
0.483 |
1 |
0 |
0 |
0.000 |
22 |
42 |
|
G |
11 |
3 |
12966 |
◊ |
E |
x-1,y,z-1 |
1_454 |
9 |
3 |
12920 |
63.2 |
0.2 |
0.693 |
2 |
0 |
0 |
0.000 |
23 |
43 |
|
[ACT]D:303 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
12979 |
61.1 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
G |
6 |
4 |
12966 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
12586 |
57.4 |
-1.2 |
0.316 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
D |
7 |
3 |
12979 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
7 |
2 |
12836 |
56.8 |
-1.2 |
0.277 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
5 |
2 |
12586 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
7 |
3 |
12966 |
50.8 |
-1.1 |
0.259 |
0 |
0 |
0 |
0.000 |
Average: |
53.8 |
-1.1 |
0.268 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
F |
5 |
3 |
12836 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13192 |
52.8 |
-0.3 |
0.397 |
1 |
0 |
0 |
0.000 |
27 |
48 |
|
[ACT]D:303 |
3 |
1 |
183 |
f |
B |
x,y,z-1 |
1_554 |
6 |
1 |
12964 |
45.4 |
0.0 |
0.760 |
1 |
0 |
0 |
0.004 |
28 |
49 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13192 |
35.4 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.477 |
50 |
|
[ZN]H:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
13343 |
35.2 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.477 |
51 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12979 |
35.2 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.477 |
52 |
|
[ZN]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
12836 |
35.1 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.477 |
53 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12586 |
34.9 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.477 |
54 |
|
[ZN]G:301 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
12966 |
34.7 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.477 |
55 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12964 |
34.6 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.477 |
56 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12920 |
34.2 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.477 |
Average: |
34.9 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.477 |
29 |
57 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12964 |
34.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
58 |
|
G |
5 |
2 |
12966 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12979 |
27.2 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
31 |
59 |
|
[URI]H:302 |
6 |
1 |
376 |
f |
[ZN]H:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.195 |
60 |
|
[URI]C:302 |
6 |
1 |
370 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.195 |
61 |
|
[URI]E:302 |
6 |
1 |
370 |
f |
[ZN]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.195 |
62 |
|
[URI]A:302 |
6 |
1 |
373 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.195 |
63 |
|
[URI]D:302 |
6 |
1 |
374 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.195 |
64 |
|
[URI]G:302 |
7 |
1 |
376 |
f |
[ZN]G:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.195 |
65 |
|
[URI]F:302 |
6 |
1 |
372 |
f |
[ZN]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.195 |
66 |
|
[URI]B:303 |
6 |
1 |
375 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
24.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.195 |
32 |
67 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12920 |
24.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
68 |
|
A |
3 |
2 |
12586 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
4 |
2 |
12836 |
18.2 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
34 |
69 |
|
C |
8 |
3 |
13192 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
5 |
3 |
13343 |
17.6 |
0.3 |
0.712 |
0 |
0 |
0 |
0.000 |
35 |
70 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12586 |
5.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
71 |
|
[ZN]F:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12920 |
4.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.031 |
72 |
|
[ZN]G:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
13343 |
3.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
73 |
|
[ZN]E:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12836 |
3.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
74 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12964 |
3.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.031 |
75 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12979 |
3.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.031 |
76 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13192 |
2.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.031 |
77 |
|
[ZN]H:301 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12966 |
2.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
3.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
36 |
78 |
|
D |
1 |
1 |
12979 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12586 |
4.7 |
-0.1 |
0.328 |
0 |
0 |
0 |
0.000 |
79 |
|
H |
1 |
1 |
13343 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12920 |
1.8 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
80 |
|
G |
1 |
1 |
12966 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12836 |
1.4 |
-0.0 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
37 |
81 |
|
H |
1 |
1 |
13343 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12586 |
1.6 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
38 |
82 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12836 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|