## |
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 |
43 |
15 |
12123 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
14 |
12123 |
467.1 |
-0.9 |
0.212 |
3 |
2 |
0 |
0.000 |
2 |
2 |
|
[6H0]A:302 |
27 |
1 |
664 |
◊ |
A |
x,y,z |
1_555 |
46 |
19 |
12123 |
345.7 |
0.8 |
0.257 |
2 |
0 |
0 |
0.005 |
3 |
|
[6H0]B:306 |
26 |
1 |
660 |
◊ |
B |
x,y,z |
1_555 |
43 |
18 |
11409 |
326.0 |
-0.3 |
0.228 |
3 |
0 |
0 |
0.005 |
Average: |
335.8 |
0.3 |
0.242 |
3 |
0 |
0 |
0.005 |
3 |
4 |
|
B |
40 |
13 |
11409 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
12123 |
313.0 |
6.2 |
0.943 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
35 |
10 |
11409 |
x |
B |
x-1,y,z |
1_455 |
26 |
6 |
11409 |
271.6 |
-0.1 |
0.559 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
[QCL]B:301 |
16 |
1 |
479 |
cf |
B |
x,y,z |
1_555 |
27 |
6 |
11409 |
174.9 |
2.3 |
0.601 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[QCL]A:305 |
16 |
1 |
482 |
cf |
A |
x,y,z |
1_555 |
29 |
6 |
12123 |
172.9 |
2.3 |
0.559 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
19 |
8 |
12123 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
15 |
7 |
11409 |
133.7 |
1.7 |
0.748 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[GOL]A:317 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12123 |
130.4 |
-0.2 |
0.569 |
5 |
0 |
0 |
0.007 |
9 |
10 |
|
[GOL]B:308 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
11409 |
125.3 |
0.4 |
0.585 |
4 |
0 |
0 |
0.008 |
11 |
|
[GOL]A:304 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
12123 |
124.5 |
0.6 |
0.584 |
4 |
0 |
0 |
0.008 |
Average: |
124.9 |
0.5 |
0.584 |
4 |
0 |
0 |
0.008 |
10 |
12 |
|
A |
16 |
3 |
12123 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
3 |
11409 |
123.7 |
-0.9 |
0.419 |
0 |
7 |
0 |
0.006 |
11 |
13 |
|
[GOL]B:312 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11409 |
118.0 |
-0.2 |
0.542 |
4 |
0 |
0 |
0.006 |
12 |
14 |
|
[QCL]B:301 |
17 |
1 |
479 |
◊ |
[QCL]A:305 |
x,y,z |
1_555 |
15 |
1 |
482 |
115.9 |
3.5 |
0.565 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[QCL]B:301 |
9 |
1 |
479 |
◊ |
[6H0]B:306 |
x,y,z |
1_555 |
9 |
1 |
660 |
74.0 |
1.8 |
0.415 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
9 |
5 |
12123 |
x |
A |
x-1,y,z |
1_455 |
10 |
5 |
12123 |
72.0 |
-0.6 |
0.395 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[QCL]A:305 |
10 |
1 |
482 |
◊ |
[6H0]A:302 |
x,y,z |
1_555 |
7 |
1 |
664 |
68.6 |
1.7 |
0.407 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[6H0]B:306 |
5 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
19 |
3 |
12123 |
68.3 |
3.3 |
0.799 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[6H0]A:302 |
4 |
1 |
664 |
f |
B |
x,y,z |
1_555 |
17 |
2 |
11409 |
62.5 |
2.9 |
0.807 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[GOL]B:308 |
5 |
1 |
220 |
◊ |
[6H0]B:306 |
x,y,z |
1_555 |
7 |
1 |
660 |
51.2 |
0.5 |
0.411 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[QCL]B:301 |
3 |
1 |
479 |
f |
[6H0]A:302 |
x,y,z |
1_555 |
3 |
1 |
664 |
50.1 |
2.2 |
0.740 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[QCL]A:305 |
4 |
1 |
482 |
cf |
[6H0]B:306 |
x,y,z |
1_555 |
3 |
1 |
660 |
50.0 |
2.1 |
0.691 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
A |
8 |
4 |
12123 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
11409 |
49.7 |
-0.6 |
0.343 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
A |
5 |
2 |
12123 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
8 |
4 |
11409 |
49.5 |
0.6 |
0.722 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[ZN]B:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11409 |
48.3 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.218 |
26 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
12123 |
45.3 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
46.8 |
-36.7 |
0.000 |
0 |
0 |
0 |
0.218 |
24 |
27 |
|
[GOL]A:304 |
5 |
1 |
220 |
◊ |
[6H0]A:302 |
x,y,z |
1_555 |
6 |
1 |
664 |
45.4 |
0.4 |
0.411 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[ZN]B:311 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
11409 |
43.9 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.065 |
26 |
29 |
|
[ZN]A:316 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12123 |
43.7 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.092 |
30 |
|
[ZN]A:312 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11409 |
16.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
30.2 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.092 |
27 |
31 |
|
[ZN]A:309 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12123 |
43.7 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.130 |
32 |
|
[ZN]B:309 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11409 |
40.7 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
42.2 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.130 |
28 |
33 |
|
[QCL]A:305 |
6 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
11409 |
41.7 |
0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[QCL]B:301 |
7 |
1 |
479 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
12123 |
40.0 |
0.8 |
0.559 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[ZN]A:313 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12123 |
39.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.058 |
31 |
36 |
|
A |
4 |
2 |
12123 |
◊ |
[ZN]A:313 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
38.4 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[ZN]A:311 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12123 |
36.9 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
|
[ZN]A:310 |
1 |
1 |
98 |
f |
B |
x-1,y,z-1 |
1_454 |
7 |
3 |
11409 |
35.3 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
36.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
39 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11409 |
36.8 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.156 |
40 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
12123 |
36.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
36.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.156 |
34 |
41 |
|
[ZN]A:315 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12123 |
35.9 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.092 |
42 |
|
[ZN]B:310 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11409 |
35.2 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
35.5 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.092 |
35 |
43 |
|
[ZN]A:316 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11409 |
34.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.080 |
44 |
|
[ZN]A:312 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12123 |
32.2 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
33.2 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.080 |
36 |
45 |
|
[ZN]A:310 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12123 |
33.0 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.087 |
46 |
|
[ZN]A:311 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
1 |
11409 |
32.4 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
32.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.087 |
37 |
47 |
|
[ZN]A:314 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12123 |
29.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.067 |
48 |
|
[ZN]A:314 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z-1 |
1_454 |
7 |
3 |
11409 |
29.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
29.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.067 |
38 |
49 |
|
[6H0]B:306 |
4 |
1 |
660 |
◊ |
[ZN]B:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.076 |
50 |
|
[6H0]A:302 |
4 |
1 |
664 |
◊ |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
29.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.076 |
39 |
51 |
|
B |
2 |
2 |
11409 |
x |
B |
-x+3,y-1/2,-z+2 |
2_847 |
3 |
1 |
11409 |
21.5 |
-0.6 |
0.233 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
A |
2 |
1 |
12123 |
◊ |
[ZN]B:311 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
98 |
19.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[ZN]A:314 |
1 |
1 |
98 |
◊ |
[ZN]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.035 |
42 |
54 |
|
[ZN]A:314 |
1 |
1 |
98 |
◊ |
[ZN]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.033 |
43 |
55 |
|
[GOL]A:304 |
1 |
1 |
220 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
56 |
|
[GOL]B:308 |
1 |
1 |
220 |
f |
[ZN]B:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
5.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
57 |
|
[ZN]B:310 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12123 |
5.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
58 |
|
A |
2 |
2 |
12123 |
◊ |
[QCL]A:305 |
x-1,y,z |
1_455 |
2 |
1 |
482 |
4.9 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[ZN]A:311 |
1 |
1 |
98 |
◊ |
[ZN]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.007 |
|