## |
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 |
|
D |
78 |
20 |
5772 |
◊ |
C |
x,y,z |
1_555 |
70 |
19 |
5575 |
624.1 |
-6.1 |
0.426 |
7 |
0 |
0 |
0.125 |
2 |
|
B |
64 |
17 |
5693 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
5917 |
498.4 |
-6.8 |
0.221 |
6 |
0 |
0 |
0.125 |
Average: |
561.3 |
-6.5 |
0.324 |
7 |
0 |
0 |
0.125 |
2 |
3 |
|
D |
59 |
14 |
5772 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
5917 |
621.3 |
-5.8 |
0.358 |
7 |
2 |
0 |
0.123 |
4 |
|
C |
56 |
16 |
5575 |
◊ |
B |
x,y,z |
1_555 |
46 |
11 |
5693 |
512.1 |
-4.9 |
0.407 |
4 |
2 |
0 |
0.123 |
Average: |
566.7 |
-5.3 |
0.382 |
6 |
2 |
0 |
0.123 |
3 |
5 |
|
A |
58 |
17 |
5917 |
x |
A |
x-1,y,z |
1_455 |
58 |
15 |
5917 |
549.6 |
-1.3 |
0.727 |
9 |
3 |
0 |
0.000 |
6 |
|
B |
55 |
15 |
5693 |
x |
B |
x-1,y,z |
1_455 |
51 |
13 |
5693 |
532.5 |
-1.1 |
0.782 |
5 |
0 |
0 |
0.000 |
Average: |
541.0 |
-1.2 |
0.754 |
7 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
53 |
14 |
5772 |
x |
D |
x-1,y,z |
1_455 |
54 |
14 |
5772 |
500.5 |
-1.4 |
0.734 |
6 |
1 |
0 |
0.000 |
5 |
8 |
|
D |
52 |
14 |
5772 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
51 |
13 |
5575 |
457.2 |
-7.2 |
0.278 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
51 |
13 |
5917 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
51 |
13 |
5693 |
440.1 |
-7.4 |
0.204 |
2 |
0 |
0 |
0.000 |
Average: |
448.7 |
-7.3 |
0.241 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
45 |
14 |
5575 |
x |
C |
x-1,y,z |
1_455 |
57 |
16 |
5575 |
457.0 |
-2.9 |
0.571 |
5 |
2 |
0 |
0.000 |
7 |
11 |
|
[1PE]A:102 |
16 |
1 |
487 |
f |
A |
x,y,z |
1_555 |
43 |
12 |
5917 |
257.1 |
-2.0 |
0.509 |
3 |
0 |
0 |
0.045 |
8 |
12 |
|
A |
26 |
11 |
5917 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
10 |
5693 |
188.9 |
0.2 |
0.761 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[BEZ]C:102 |
9 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
28 |
12 |
5575 |
171.5 |
3.9 |
0.380 |
0 |
0 |
0 |
0.000 |
14 |
|
[BEZ]A:101 |
9 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
5917 |
144.0 |
3.6 |
0.413 |
0 |
0 |
0 |
0.000 |
Average: |
157.7 |
3.7 |
0.397 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[PEG]D:201 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
5575 |
110.6 |
2.5 |
0.351 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[PEG]B:301 |
6 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
5917 |
107.8 |
3.2 |
0.461 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[PEG]D:201 |
7 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
5772 |
90.5 |
2.3 |
0.282 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[PEG]B:301 |
6 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
5693 |
80.6 |
1.6 |
0.292 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
4 |
2 |
5575 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
5772 |
56.9 |
-1.0 |
0.164 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
C |
6 |
3 |
5575 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
5917 |
56.2 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[1PE]A:102 |
5 |
1 |
487 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
5772 |
54.9 |
-0.6 |
0.522 |
1 |
0 |
0 |
0.014 |
17 |
22 |
|
[1PE]A:102 |
6 |
1 |
487 |
f |
[BEZ]A:101 |
x,y,z |
1_555 |
9 |
1 |
266 |
54.4 |
1.1 |
0.023 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
5693 |
45.8 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.752 |
24 |
|
[ZN]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
5772 |
45.4 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.752 |
25 |
|
[ZN]C:103 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
5575 |
32.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.752 |
26 |
|
[ZN]A:103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
5917 |
29.2 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.752 |
Average: |
38.1 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.752 |
19 |
27 |
|
D |
8 |
4 |
5772 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
6 |
5917 |
45.6 |
0.7 |
0.791 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[PEG]B:301 |
3 |
1 |
253 |
cf |
[1PE]A:102 |
x,y,z |
1_555 |
2 |
1 |
487 |
40.6 |
1.3 |
0.445 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[1PE]A:102 |
3 |
1 |
487 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5693 |
28.4 |
-0.6 |
0.467 |
0 |
0 |
0 |
0.007 |
22 |
30 |
|
[ZN]C:103 |
1 |
1 |
98 |
f |
[BEZ]C:102 |
x,y,z |
1_555 |
3 |
1 |
264 |
26.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.121 |
31 |
|
[ZN]A:103 |
1 |
1 |
98 |
f |
[BEZ]A:101 |
x,y,z |
1_555 |
3 |
1 |
266 |
22.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
24.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.121 |
23 |
32 |
|
D |
2 |
2 |
5772 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
5575 |
26.0 |
0.6 |
0.858 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[ZN]C:103 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
5693 |
19.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.088 |
34 |
|
[ZN]A:103 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
5772 |
18.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
19.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.088 |
25 |
35 |
|
[PEG]D:201 |
3 |
1 |
258 |
f |
[1PE]A:102 |
x,y,z |
1_555 |
2 |
1 |
487 |
19.3 |
0.8 |
0.371 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
B |
3 |
3 |
5693 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
5917 |
18.7 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[ZN]D:203 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
5575 |
14.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.080 |
38 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5917 |
11.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
12.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.080 |
28 |
39 |
|
[ZN]A:103 |
1 |
1 |
98 |
f |
[1PE]A:102 |
x,y,z |
1_555 |
4 |
1 |
487 |
10.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.045 |
29 |
40 |
|
D |
1 |
1 |
5772 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
5575 |
4.9 |
0.2 |
0.822 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
C |
1 |
1 |
5575 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
5693 |
2.5 |
-0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
|