## |
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 |
|
C |
73 |
22 |
7000 |
◊ |
B |
x,y,z |
1_555 |
76 |
24 |
6973 |
720.5 |
-6.8 |
0.461 |
12 |
2 |
0 |
0.252 |
2 |
|
E |
74 |
21 |
7047 |
◊ |
D |
x,y,z |
1_555 |
83 |
25 |
7017 |
712.2 |
-7.3 |
0.432 |
12 |
2 |
0 |
0.252 |
3 |
|
C |
82 |
25 |
7000 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
7036 |
711.9 |
-6.3 |
0.497 |
12 |
2 |
0 |
0.252 |
4 |
|
F |
73 |
20 |
7045 |
◊ |
E |
x,y,z |
1_555 |
85 |
26 |
7047 |
711.6 |
-6.5 |
0.481 |
13 |
2 |
0 |
0.252 |
5 |
|
B |
74 |
21 |
6973 |
◊ |
A |
x,y,z |
1_555 |
79 |
24 |
7036 |
707.4 |
-6.7 |
0.477 |
12 |
2 |
0 |
0.252 |
6 |
|
F |
79 |
25 |
7045 |
◊ |
D |
x,y,z |
1_555 |
73 |
22 |
7017 |
706.1 |
-7.3 |
0.443 |
13 |
2 |
0 |
0.252 |
Average: |
711.6 |
-6.8 |
0.465 |
12 |
2 |
0 |
0.252 |
2 |
7 |
|
D |
87 |
19 |
7017 |
◊ |
A |
x,y,z |
1_555 |
90 |
19 |
7036 |
667.5 |
-5.4 |
0.619 |
14 |
2 |
0 |
0.124 |
8 |
|
E |
86 |
19 |
7047 |
◊ |
C |
x,y,z |
1_555 |
89 |
19 |
7000 |
661.2 |
-3.6 |
0.702 |
19 |
2 |
0 |
0.124 |
9 |
|
F |
89 |
20 |
7045 |
◊ |
B |
x,y,z |
1_555 |
88 |
19 |
6973 |
655.5 |
-4.2 |
0.701 |
16 |
2 |
0 |
0.124 |
Average: |
661.4 |
-4.4 |
0.674 |
16 |
2 |
0 |
0.124 |
3 |
10 |
|
B |
32 |
10 |
6973 |
◊ |
B |
-x,-y+1,z |
2_565 |
31 |
9 |
6973 |
325.6 |
-6.8 |
0.156 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
F |
25 |
9 |
7045 |
◊ |
B |
x,-y+1,-z |
4_565 |
23 |
7 |
6973 |
172.7 |
1.1 |
0.820 |
3 |
4 |
0 |
0.000 |
12 |
|
A |
23 |
7 |
7036 |
◊ |
E |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
22 |
7 |
7047 |
165.2 |
1.9 |
0.855 |
3 |
5 |
0 |
0.000 |
13 |
|
D |
22 |
8 |
7017 |
◊ |
C |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
23 |
6 |
7000 |
162.5 |
1.5 |
0.842 |
3 |
5 |
0 |
0.000 |
Average: |
166.8 |
1.5 |
0.839 |
3 |
5 |
0 |
0.000 |
5 |
14 |
|
[BIO]A:121 |
16 |
1 |
385 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
7036 |
169.0 |
-0.1 |
0.270 |
5 |
0 |
0 |
0.063 |
15 |
|
[BIO]B:121 |
16 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
6973 |
168.2 |
0.6 |
0.301 |
6 |
0 |
0 |
0.063 |
16 |
|
[BIO]C:121 |
16 |
1 |
389 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
7000 |
167.7 |
-0.1 |
0.253 |
7 |
0 |
0 |
0.063 |
17 |
|
[BIO]E:121 |
16 |
1 |
389 |
f |
E |
x,y,z |
1_555 |
27 |
12 |
7047 |
166.4 |
0.5 |
0.301 |
8 |
0 |
0 |
0.063 |
18 |
|
[BIO]F:121 |
16 |
1 |
390 |
f |
F |
x,y,z |
1_555 |
27 |
12 |
7045 |
166.3 |
-0.2 |
0.239 |
7 |
0 |
0 |
0.063 |
19 |
|
[BIO]D:121 |
16 |
1 |
387 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
7017 |
165.9 |
-0.2 |
0.237 |
6 |
0 |
0 |
0.063 |
Average: |
167.3 |
0.1 |
0.267 |
7 |
0 |
0 |
0.063 |
6 |
20 |
|
[BIO]B:121 |
13 |
1 |
392 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
7000 |
117.1 |
0.9 |
0.429 |
1 |
0 |
0 |
0.000 |
21 |
|
[BIO]F:121 |
13 |
1 |
390 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
7017 |
116.7 |
0.9 |
0.401 |
1 |
0 |
0 |
0.000 |
22 |
|
[BIO]E:121 |
13 |
1 |
389 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
7045 |
115.0 |
0.8 |
0.415 |
1 |
0 |
0 |
0.000 |
23 |
|
[BIO]C:121 |
13 |
1 |
389 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
7036 |
113.6 |
0.9 |
0.386 |
1 |
0 |
0 |
0.000 |
24 |
|
[BIO]D:121 |
13 |
1 |
387 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
7047 |
113.5 |
0.8 |
0.397 |
1 |
0 |
0 |
0.000 |
25 |
|
[BIO]A:121 |
13 |
1 |
385 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
6973 |
112.7 |
0.9 |
0.426 |
1 |
0 |
0 |
0.000 |
Average: |
114.8 |
0.9 |
0.409 |
1 |
0 |
0 |
0.000 |
7 |
26 |
|
B |
13 |
5 |
6973 |
◊ |
B |
x,-y+1,-z |
4_565 |
13 |
5 |
6973 |
99.9 |
0.9 |
0.804 |
2 |
2 |
0 |
0.000 |
27 |
|
A |
8 |
3 |
7036 |
◊ |
C |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
7 |
3 |
7000 |
42.3 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
Average: |
71.1 |
0.7 |
0.773 |
1 |
1 |
0 |
0.000 |
8 |
28 |
|
F |
9 |
3 |
7045 |
◊ |
F |
-x,y,-z |
3_555 |
9 |
3 |
7045 |
60.3 |
-1.4 |
0.395 |
0 |
0 |
0 |
0.000 |
9 |
29 |
|
[BIO]E:121 |
4 |
1 |
389 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7000 |
38.1 |
-0.9 |
0.157 |
0 |
0 |
0 |
0.016 |
30 |
|
[BIO]C:121 |
3 |
1 |
389 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
7047 |
37.3 |
-0.7 |
0.226 |
0 |
0 |
0 |
0.016 |
31 |
|
[BIO]D:121 |
4 |
1 |
387 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7036 |
36.8 |
-0.3 |
0.253 |
1 |
0 |
0 |
0.016 |
32 |
|
[BIO]B:121 |
4 |
1 |
392 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
7045 |
36.1 |
-0.7 |
0.194 |
0 |
0 |
0 |
0.016 |
33 |
|
[BIO]A:121 |
3 |
1 |
385 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7017 |
35.1 |
-0.8 |
0.179 |
0 |
0 |
0 |
0.016 |
34 |
|
[BIO]F:121 |
3 |
1 |
390 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6973 |
35.0 |
-0.4 |
0.264 |
0 |
0 |
0 |
0.016 |
Average: |
36.4 |
-0.6 |
0.212 |
0 |
0 |
0 |
0.016 |
10 |
35 |
|
B |
2 |
1 |
6973 |
◊ |
E |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
3 |
1 |
7047 |
33.5 |
-0.7 |
0.291 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
3 |
1 |
7017 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
2 |
1 |
7036 |
33.4 |
-0.7 |
0.292 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
3 |
1 |
7045 |
◊ |
C |
x,-y+1,-z |
4_565 |
2 |
1 |
7000 |
32.3 |
-0.6 |
0.313 |
0 |
0 |
0 |
0.000 |
Average: |
33.0 |
-0.7 |
0.299 |
0 |
0 |
0 |
0.000 |
11 |
38 |
|
[ZN]B:122 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6973 |
33.3 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.476 |
39 |
|
[ZN]C:122 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7000 |
32.9 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.476 |
40 |
|
[ZN]A:122 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7036 |
32.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.476 |
41 |
|
[ZN]E:122 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
7047 |
32.4 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.476 |
42 |
|
[ZN]F:122 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
7045 |
32.3 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.476 |
43 |
|
[ZN]D:122 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
7017 |
32.1 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.476 |
Average: |
32.6 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.476 |
12 |
44 |
|
[ZN]C:122 |
1 |
1 |
98 |
f |
[BIO]C:121 |
x,y,z |
1_555 |
3 |
1 |
389 |
27.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.263 |
45 |
|
[ZN]D:122 |
1 |
1 |
98 |
f |
[BIO]D:121 |
x,y,z |
1_555 |
3 |
1 |
387 |
27.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.263 |
46 |
|
[ZN]E:122 |
1 |
1 |
98 |
cf |
[BIO]E:121 |
x,y,z |
1_555 |
3 |
1 |
389 |
27.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.263 |
47 |
|
[ZN]B:122 |
1 |
1 |
98 |
f |
[BIO]B:121 |
x,y,z |
1_555 |
3 |
1 |
392 |
26.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.263 |
48 |
|
[ZN]F:122 |
1 |
1 |
98 |
f |
[BIO]F:121 |
x,y,z |
1_555 |
3 |
1 |
390 |
26.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.263 |
49 |
|
[ZN]A:122 |
1 |
1 |
98 |
f |
[BIO]A:121 |
x,y,z |
1_555 |
4 |
1 |
385 |
26.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
27.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.263 |
13 |
50 |
|
[ZN]A:122 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7017 |
11.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
51 |
|
[ZN]E:122 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7000 |
10.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
52 |
|
[ZN]F:122 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6973 |
10.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.080 |
53 |
|
[ZN]D:122 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7036 |
10.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.080 |
54 |
|
[ZN]B:122 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7045 |
9.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.080 |
55 |
|
[ZN]C:122 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7047 |
9.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
10.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.080 |
|