| ## |
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 |
|
A |
229 |
55 |
13429 |
◊ |
C |
x-1,y,z |
1_455 |
232 |
56 |
13389 |
2350.8 |
-28.9 |
0.016 |
36 |
26 |
0 |
0.138 |
2 |
|
H |
235 |
55 |
13296 |
◊ |
B |
x,y-1,z |
1_545 |
229 |
55 |
13304 |
2327.2 |
-28.5 |
0.027 |
37 |
26 |
0 |
0.138 |
3 |
|
D |
233 |
55 |
13535 |
◊ |
F |
x-1,y,z |
1_455 |
230 |
57 |
13481 |
2321.8 |
-29.0 |
0.020 |
36 |
24 |
0 |
0.138 |
4 |
|
E |
226 |
55 |
13239 |
◊ |
G |
x-1,y+1,z |
1_465 |
227 |
54 |
13412 |
2301.8 |
-28.8 |
0.024 |
37 |
27 |
0 |
0.138 |
| Average: |
2325.4 |
-28.8 |
0.022 |
37 |
26 |
0 |
0.138 |
| 2 |
5 |
|
G |
32 |
12 |
13412 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
13429 |
316.5 |
-1.8 |
0.358 |
5 |
4 |
0 |
0.000 |
6 |
|
F |
32 |
9 |
13481 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
13304 |
288.5 |
-1.6 |
0.370 |
6 |
4 |
0 |
0.000 |
| Average: |
302.5 |
-1.7 |
0.364 |
6 |
4 |
0 |
0.000 |
| 3 |
7 |
|
F |
26 |
9 |
13481 |
◊ |
D |
x,y,z |
1_555 |
25 |
9 |
13535 |
274.5 |
-6.0 |
0.045 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
25 |
9 |
13389 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
13429 |
273.6 |
-6.0 |
0.042 |
2 |
0 |
0 |
0.000 |
9 |
|
G |
24 |
9 |
13412 |
◊ |
E |
x,y-1,z |
1_545 |
26 |
9 |
13239 |
269.8 |
-5.9 |
0.049 |
2 |
0 |
0 |
0.000 |
10 |
|
H |
25 |
9 |
13296 |
◊ |
B |
x-1,y-1,z |
1_445 |
25 |
9 |
13304 |
269.3 |
-6.0 |
0.045 |
2 |
0 |
0 |
0.000 |
| Average: |
271.8 |
-5.9 |
0.045 |
2 |
0 |
0 |
0.000 |
| 4 |
11 |
|
H |
24 |
8 |
13296 |
◊ |
C |
x-1,y-1,z |
1_445 |
27 |
9 |
13389 |
258.8 |
0.9 |
0.593 |
2 |
3 |
0 |
0.000 |
12 |
|
D |
27 |
9 |
13535 |
◊ |
E |
x,y-1,z-1 |
1_544 |
25 |
8 |
13239 |
242.1 |
0.3 |
0.628 |
2 |
2 |
0 |
0.000 |
| Average: |
250.5 |
0.6 |
0.611 |
2 |
3 |
0 |
0.000 |
| 5 |
13 |
|
E |
31 |
10 |
13239 |
◊ |
F |
x-1,y,z+1 |
1_456 |
33 |
9 |
13481 |
250.0 |
1.3 |
0.769 |
2 |
1 |
0 |
0.000 |
14 |
|
H |
25 |
7 |
13296 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
13429 |
229.5 |
0.9 |
0.711 |
4 |
1 |
0 |
0.000 |
| Average: |
239.7 |
1.1 |
0.740 |
3 |
1 |
0 |
0.000 |
| 6 |
15 |
|
[6XA]D:405 |
10 |
1 |
336 |
f |
D |
x,y,z |
1_555 |
35 |
17 |
13535 |
197.0 |
3.4 |
0.207 |
4 |
0 |
0 |
0.000 |
| 7 |
16 |
|
[6XA]C:405 |
10 |
1 |
334 |
f |
C |
x,y,z |
1_555 |
34 |
17 |
13389 |
196.8 |
3.4 |
0.198 |
4 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[6XA]F:405 |
10 |
1 |
334 |
f |
F |
x,y,z |
1_555 |
34 |
18 |
13481 |
195.0 |
3.1 |
0.191 |
5 |
0 |
0 |
0.000 |
18 |
|
[6XA]B:405 |
10 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
37 |
18 |
13304 |
193.6 |
3.4 |
0.233 |
5 |
0 |
0 |
0.000 |
19 |
|
[6XA]G:405 |
10 |
1 |
331 |
f |
G |
x,y,z |
1_555 |
34 |
17 |
13412 |
193.3 |
3.5 |
0.231 |
5 |
0 |
0 |
0.000 |
20 |
|
[6XA]A:405 |
10 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
13429 |
193.0 |
3.4 |
0.216 |
5 |
0 |
0 |
0.000 |
21 |
|
[6XA]H:405 |
10 |
1 |
331 |
f |
H |
x,y,z |
1_555 |
36 |
17 |
13296 |
190.1 |
3.0 |
0.193 |
5 |
0 |
0 |
0.000 |
22 |
|
[6XA]E:405 |
10 |
1 |
327 |
f |
E |
x,y,z |
1_555 |
34 |
16 |
13239 |
189.9 |
3.1 |
0.212 |
5 |
0 |
0 |
0.000 |
| Average: |
192.5 |
3.2 |
0.212 |
5 |
0 |
0 |
0.000 |
| 9 |
23 |
|
A |
19 |
9 |
13429 |
◊ |
C |
x-1,y-1,z |
1_445 |
18 |
8 |
13389 |
124.4 |
0.8 |
0.748 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
14 |
6 |
13535 |
◊ |
F |
x-1,y-1,z |
1_445 |
16 |
6 |
13481 |
101.2 |
-0.8 |
0.520 |
0 |
0 |
0 |
0.000 |
| Average: |
112.8 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[K]D:403 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
13535 |
113.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
26 |
|
[K]F:403 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
13481 |
113.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
27 |
|
[K]G:403 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
12 |
8 |
13412 |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
28 |
|
[K]C:403 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
13389 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
29 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
13304 |
112.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
30 |
|
[K]E:403 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
13239 |
112.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
31 |
|
[K]A:403 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
13429 |
112.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
32 |
|
[K]H:403 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
9 |
7 |
13296 |
112.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
| Average: |
112.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.606 |
| 11 |
33 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13304 |
47.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.038 |
34 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13429 |
47.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13389 |
47.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
36 |
|
[MG]E:404 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
13239 |
47.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
|
[MG]H:404 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
13296 |
46.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
13535 |
46.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.038 |
39 |
|
[MG]G:404 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
13412 |
46.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
40 |
|
[MG]F:404 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
13481 |
45.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
47.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 12 |
41 |
|
H |
9 |
5 |
13296 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
13535 |
46.2 |
0.8 |
0.800 |
1 |
0 |
0 |
0.000 |
42 |
|
E |
5 |
3 |
13239 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
4 |
13389 |
39.1 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| Average: |
42.7 |
0.3 |
0.652 |
1 |
0 |
0 |
0.000 |
| 13 |
43 |
|
D |
3 |
2 |
13535 |
◊ |
[6XA]F:405 |
x-1,y,z |
1_455 |
3 |
1 |
334 |
36.0 |
0.2 |
0.079 |
0 |
0 |
0 |
0.000 |
44 |
|
[6XA]H:405 |
3 |
1 |
331 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
13304 |
35.7 |
0.2 |
0.082 |
0 |
0 |
0 |
0.000 |
45 |
|
[6XA]A:405 |
3 |
1 |
330 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
13389 |
35.5 |
0.2 |
0.077 |
0 |
0 |
0 |
0.000 |
46 |
|
[6XA]E:405 |
3 |
1 |
327 |
◊ |
G |
x-1,y+1,z |
1_465 |
3 |
2 |
13412 |
34.5 |
0.2 |
0.082 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
3 |
2 |
13296 |
◊ |
[6XA]B:405 |
x,y-1,z |
1_545 |
3 |
1 |
328 |
33.9 |
0.2 |
0.060 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
3 |
2 |
13429 |
◊ |
[6XA]C:405 |
x-1,y,z |
1_455 |
3 |
1 |
334 |
33.4 |
0.3 |
0.081 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
3 |
2 |
13239 |
◊ |
[6XA]G:405 |
x-1,y+1,z |
1_465 |
3 |
1 |
331 |
31.5 |
0.3 |
0.093 |
0 |
0 |
0 |
0.000 |
| Average: |
34.4 |
0.2 |
0.079 |
0 |
0 |
0 |
0.000 |
| 14 |
50 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
13304 |
35.8 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.142 |
51 |
|
[ZN]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
7 |
13481 |
35.6 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.142 |
52 |
|
[ZN]G:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
7 |
13412 |
35.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.142 |
53 |
|
[ZN]H:401 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
7 |
13296 |
35.4 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.142 |
54 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
13429 |
35.4 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.142 |
55 |
|
[ZN]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
6 |
13239 |
35.3 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.142 |
56 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
7 |
13389 |
35.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.142 |
57 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
7 |
13535 |
35.1 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
35.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.142 |
| 15 |
58 |
|
[6XA]D:405 |
2 |
1 |
336 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
2 |
13481 |
34.6 |
0.3 |
0.175 |
0 |
0 |
0 |
0.000 |
| 16 |
59 |
|
[6XA]A:405 |
4 |
1 |
330 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.077 |
60 |
|
[6XA]D:405 |
4 |
1 |
336 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.077 |
61 |
|
[6XA]C:405 |
4 |
1 |
334 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.077 |
62 |
|
[6XA]G:405 |
4 |
1 |
331 |
f |
[ZN]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.077 |
63 |
|
[6XA]E:405 |
4 |
1 |
327 |
f |
[ZN]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.077 |
64 |
|
[6XA]H:405 |
4 |
1 |
331 |
f |
[ZN]H:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.077 |
65 |
|
[6XA]B:405 |
4 |
1 |
328 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.077 |
66 |
|
[6XA]F:405 |
4 |
1 |
334 |
f |
[ZN]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
30.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.077 |
| 17 |
67 |
|
D |
3 |
1 |
13535 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
2 |
13481 |
29.0 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
| 18 |
68 |
|
F |
3 |
1 |
13481 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
13412 |
26.6 |
0.5 |
0.824 |
0 |
0 |
0 |
0.000 |
69 |
|
B |
3 |
1 |
13304 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13429 |
23.9 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
| Average: |
25.2 |
0.5 |
0.825 |
0 |
0 |
0 |
0.000 |
| 19 |
70 |
|
[MG]D:404 |
1 |
1 |
98 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
3 |
13481 |
23.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
71 |
|
H |
4 |
3 |
13296 |
◊ |
[MG]B:404 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
22.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
72 |
|
[MG]H:404 |
1 |
1 |
98 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
3 |
13304 |
22.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
73 |
|
E |
4 |
3 |
13239 |
◊ |
[MG]G:404 |
x-1,y+1,z |
1_465 |
1 |
1 |
98 |
22.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
74 |
|
[MG]E:404 |
1 |
1 |
98 |
◊ |
G |
x-1,y+1,z |
1_465 |
4 |
3 |
13412 |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
A |
4 |
3 |
13429 |
◊ |
[MG]C:404 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
22.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
76 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
3 |
13389 |
21.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
77 |
|
D |
4 |
3 |
13535 |
◊ |
[MG]F:404 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
21.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 20 |
78 |
|
H |
2 |
1 |
13296 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13304 |
13.1 |
-0.4 |
0.208 |
0 |
0 |
0 |
0.000 |
79 |
|
E |
2 |
1 |
13239 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
13412 |
12.3 |
-0.4 |
0.214 |
0 |
0 |
0 |
0.000 |
| Average: |
12.7 |
-0.4 |
0.211 |
0 |
0 |
0 |
0.000 |
|