## |
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 |
52 |
14 |
6304 |
◊ |
B |
y,x,-z |
7_555 |
52 |
14 |
6304 |
483.9 |
-0.7 |
0.711 |
8 |
2 |
0 |
0.024 |
2 |
|
F |
42 |
10 |
6455 |
◊ |
D |
y,x,-z |
7_555 |
45 |
13 |
5576 |
382.8 |
1.0 |
0.814 |
9 |
3 |
0 |
0.024 |
3 |
|
C |
41 |
11 |
5567 |
◊ |
A |
y,x,-z |
7_555 |
38 |
9 |
5550 |
302.5 |
1.8 |
0.822 |
10 |
3 |
0 |
0.024 |
4 |
|
E |
39 |
9 |
5702 |
◊ |
E |
y,x,-z |
7_555 |
39 |
9 |
5702 |
289.8 |
3.0 |
0.911 |
10 |
8 |
0 |
0.024 |
Average: |
364.8 |
1.3 |
0.815 |
9 |
4 |
0 |
0.024 |
2 |
5 |
|
F |
56 |
16 |
6455 |
◊ |
E |
x,y,z |
1_555 |
58 |
17 |
5702 |
482.5 |
-5.3 |
0.398 |
5 |
2 |
0 |
0.069 |
6 |
|
B |
49 |
15 |
6304 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
5550 |
476.6 |
-4.4 |
0.402 |
5 |
2 |
0 |
0.069 |
7 |
|
F |
32 |
10 |
6455 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
5550 |
327.0 |
-5.6 |
0.168 |
1 |
2 |
0 |
0.069 |
8 |
|
D |
35 |
13 |
5576 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
5567 |
314.3 |
-4.8 |
0.209 |
1 |
2 |
0 |
0.069 |
9 |
|
E |
29 |
9 |
5702 |
◊ |
D |
x,y,z |
1_555 |
28 |
8 |
5576 |
271.6 |
-4.3 |
0.236 |
1 |
2 |
0 |
0.069 |
10 |
|
C |
25 |
10 |
5567 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
6304 |
253.3 |
-4.5 |
0.184 |
1 |
2 |
0 |
0.069 |
Average: |
354.2 |
-4.8 |
0.266 |
2 |
2 |
0 |
0.069 |
3 |
11 |
|
H |
25 |
4 |
636 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
6304 |
308.8 |
-4.7 |
0.697 |
6 |
2 |
0 |
0.111 |
12 |
|
J |
25 |
4 |
726 |
◊ |
D |
x,y,z |
1_555 |
49 |
14 |
5576 |
307.9 |
-4.8 |
0.684 |
5 |
2 |
0 |
0.111 |
13 |
|
L |
25 |
4 |
633 |
◊ |
F |
x,y,z |
1_555 |
47 |
14 |
6455 |
306.8 |
-4.7 |
0.701 |
7 |
2 |
0 |
0.111 |
14 |
|
I |
24 |
4 |
630 |
◊ |
C |
x,y,z |
1_555 |
46 |
14 |
5567 |
306.0 |
-4.8 |
0.658 |
5 |
2 |
0 |
0.111 |
15 |
|
K |
25 |
4 |
632 |
◊ |
E |
x,y,z |
1_555 |
49 |
15 |
5702 |
302.8 |
-4.5 |
0.724 |
5 |
2 |
0 |
0.111 |
16 |
|
G |
24 |
4 |
609 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
5550 |
299.8 |
-3.5 |
0.741 |
7 |
2 |
0 |
0.111 |
Average: |
305.4 |
-4.5 |
0.701 |
6 |
2 |
0 |
0.111 |
4 |
17 |
|
A |
29 |
8 |
5550 |
◊ |
E |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
36 |
11 |
5702 |
271.4 |
-2.8 |
0.342 |
3 |
0 |
0 |
0.003 |
5 |
18 |
|
F |
29 |
10 |
6455 |
◊ |
E |
y,x,-z |
7_555 |
35 |
9 |
5702 |
266.0 |
-3.3 |
0.329 |
3 |
0 |
0 |
0.031 |
19 |
|
C |
28 |
8 |
5567 |
◊ |
B |
y,x,-z |
7_555 |
23 |
8 |
6304 |
205.5 |
-1.8 |
0.342 |
2 |
0 |
0 |
0.031 |
20 |
|
D |
3 |
1 |
5576 |
◊ |
A |
y,x,-z |
7_555 |
3 |
1 |
5550 |
34.3 |
-1.1 |
0.194 |
0 |
0 |
0 |
0.031 |
Average: |
168.6 |
-2.1 |
0.288 |
2 |
0 |
0 |
0.031 |
6 |
21 |
|
A |
27 |
9 |
5550 |
◊ |
F |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
28 |
11 |
6455 |
252.6 |
-0.6 |
0.640 |
2 |
2 |
0 |
0.012 |
7 |
22 |
|
B |
22 |
9 |
6304 |
◊ |
D |
y,x-1,-z |
7_545 |
18 |
7 |
5576 |
209.4 |
-3.8 |
0.178 |
0 |
0 |
0 |
0.002 |
8 |
23 |
|
F |
17 |
7 |
6455 |
◊ |
D |
-y+5/2,x-1/2,z+1/4 |
3_745 |
20 |
8 |
5576 |
165.5 |
-0.8 |
0.488 |
3 |
1 |
0 |
0.010 |
9 |
24 |
|
B |
12 |
4 |
6304 |
◊ |
E |
y,x-1,-z |
7_545 |
11 |
5 |
5702 |
120.9 |
0.1 |
0.610 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
C |
7 |
2 |
5567 |
◊ |
E |
y,x-1,-z |
7_545 |
7 |
2 |
5702 |
79.0 |
-1.8 |
0.195 |
0 |
0 |
0 |
0.000 |
11 |
26 |
|
B |
4 |
2 |
6304 |
◊ |
K |
y,x-1,-z |
7_545 |
9 |
3 |
632 |
75.4 |
-2.5 |
0.082 |
0 |
0 |
0 |
0.002 |
12 |
27 |
|
G |
6 |
3 |
609 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
6455 |
75.1 |
-2.4 |
0.287 |
0 |
0 |
0 |
0.022 |
28 |
|
J |
7 |
3 |
726 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
5567 |
71.8 |
-2.3 |
0.250 |
0 |
0 |
0 |
0.022 |
29 |
|
H |
5 |
2 |
636 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5550 |
68.5 |
-2.2 |
0.206 |
0 |
0 |
0 |
0.022 |
30 |
|
I |
5 |
2 |
630 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6304 |
68.1 |
-2.2 |
0.200 |
0 |
0 |
0 |
0.022 |
31 |
|
K |
5 |
2 |
632 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5576 |
66.9 |
-2.1 |
0.220 |
0 |
0 |
0 |
0.022 |
32 |
|
L |
5 |
2 |
633 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
5702 |
65.9 |
-2.1 |
0.229 |
0 |
0 |
0 |
0.022 |
Average: |
69.4 |
-2.2 |
0.232 |
0 |
0 |
0 |
0.022 |
13 |
33 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
y,x,-z |
7_555 |
9 |
6 |
6304 |
56.0 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.324 |
34 |
|
[ZN]D:700 |
1 |
1 |
98 |
f |
F |
y,x,-z |
7_555 |
12 |
6 |
6455 |
50.8 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.324 |
35 |
|
[ZN]F:900 |
1 |
1 |
98 |
f |
D |
y,x,-z |
7_555 |
6 |
2 |
5576 |
35.2 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.324 |
36 |
|
[ZN]C:600 |
1 |
1 |
98 |
f |
A |
y,x,-z |
7_555 |
7 |
2 |
5550 |
34.8 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.324 |
37 |
|
[ZN]E:800 |
1 |
1 |
98 |
f |
E |
y,x,-z |
7_555 |
4 |
2 |
5702 |
29.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.324 |
38 |
|
[ZN]A:400 |
1 |
1 |
98 |
f |
C |
y,x,-z |
7_555 |
4 |
2 |
5567 |
27.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.324 |
Average: |
38.9 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.324 |
14 |
39 |
|
[ZN]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
6455 |
50.6 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.437 |
40 |
|
[ZN]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
5567 |
49.3 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.437 |
41 |
|
[ZN]E:801 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
5702 |
48.2 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.437 |
42 |
|
[ZN]D:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
5576 |
47.9 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.437 |
43 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
5550 |
47.1 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.437 |
44 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6304 |
45.6 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.437 |
Average: |
48.1 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.437 |
15 |
45 |
|
G |
3 |
1 |
609 |
◊ |
F |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
4 |
1 |
6455 |
45.8 |
-1.5 |
0.268 |
0 |
0 |
0 |
0.009 |
16 |
46 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
6304 |
42.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.285 |
47 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
5567 |
38.3 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.285 |
48 |
|
[ZN]E:702 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
5702 |
37.9 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.285 |
49 |
|
[ZN]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
5576 |
37.4 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.285 |
50 |
|
[ZN]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
5550 |
36.8 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.285 |
51 |
|
[ZN]F:802 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
2 |
6455 |
31.3 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
37.4 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.285 |
17 |
52 |
|
F |
6 |
2 |
6455 |
◊ |
E |
-y+5/2,x-1/2,z+1/4 |
3_745 |
4 |
2 |
5702 |
42.4 |
-0.5 |
0.385 |
0 |
0 |
0 |
0.002 |
18 |
53 |
|
A |
4 |
1 |
5550 |
◊ |
E |
-y+5/2,x-1/2,z+1/4 |
3_745 |
4 |
1 |
5702 |
39.5 |
-0.2 |
0.439 |
0 |
0 |
0 |
0.000 |
19 |
54 |
|
[ZN]A:400 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6304 |
36.7 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.101 |
55 |
|
[ZN]E:800 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
6455 |
36.4 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
36.6 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.101 |
20 |
56 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6304 |
36.6 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.173 |
57 |
|
[ZN]E:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5576 |
36.5 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.173 |
58 |
|
[ZN]D:602 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5567 |
36.4 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.173 |
59 |
|
[ZN]A:902 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
6455 |
35.6 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.173 |
60 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5550 |
32.9 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.173 |
61 |
|
[ZN]F:802 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
5702 |
24.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
33.8 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.173 |
21 |
62 |
|
[ZN]F:900 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
6455 |
35.1 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.180 |
63 |
|
[ZN]C:600 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5567 |
35.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.180 |
64 |
|
[ZN]D:700 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5576 |
28.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.180 |
65 |
|
[ZN]B:500 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6304 |
27.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.180 |
66 |
|
[ZN]A:400 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5550 |
26.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.180 |
67 |
|
[ZN]E:800 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
5702 |
26.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
29.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.180 |
22 |
68 |
|
I |
5 |
2 |
630 |
◊ |
E |
y,x-1,-z |
7_545 |
1 |
1 |
5702 |
28.2 |
-0.9 |
0.235 |
0 |
0 |
0 |
0.000 |
23 |
69 |
|
A |
3 |
1 |
5550 |
◊ |
[ZN]F:802 |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
1 |
1 |
98 |
24.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.067 |
24 |
70 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6304 |
13.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.021 |
71 |
|
[ZN]E:801 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
6455 |
13.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
13.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
72 |
|
[ZN]B:501 |
1 |
1 |
98 |
◊ |
B |
y,x,-z |
7_555 |
2 |
1 |
6304 |
9.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
73 |
|
[ZN]D:701 |
1 |
1 |
98 |
◊ |
F |
y,x,-z |
7_555 |
1 |
1 |
6455 |
3.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
6.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
26 |
74 |
|
A |
2 |
1 |
5550 |
◊ |
L |
-x+5/2,y-1/2,-z+1/4 |
5_745 |
1 |
1 |
633 |
3.0 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
27 |
75 |
|
A |
2 |
2 |
5550 |
◊ |
C |
-y+3/2,x-1/2,z+1/4 |
3_645 |
2 |
1 |
5567 |
2.5 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
28 |
76 |
|
H |
1 |
1 |
636 |
◊ |
D |
y,x-1,-z |
7_545 |
2 |
1 |
5576 |
2.3 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
29 |
77 |
|
G |
1 |
1 |
609 |
◊ |
E |
-y+5/2,x-1/2,z+1/4 |
3_745 |
1 |
1 |
5702 |
2.0 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
|