## |
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 |
52 |
18 |
9724 |
◊ |
C |
x,y,z |
1_555 |
55 |
16 |
9437 |
520.0 |
-0.3 |
0.530 |
5 |
4 |
0 |
0.000 |
2 |
2 |
|
B |
51 |
16 |
9375 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
9574 |
466.5 |
-1.0 |
0.402 |
4 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
45 |
14 |
9574 |
x |
A |
x-1,y,z |
1_455 |
44 |
15 |
9574 |
425.6 |
-0.9 |
0.506 |
6 |
0 |
0 |
0.000 |
4 |
|
B |
32 |
10 |
9375 |
x |
B |
x-1,y,z |
1_455 |
31 |
10 |
9375 |
307.4 |
-2.1 |
0.380 |
3 |
0 |
0 |
0.000 |
Average: |
366.5 |
-1.5 |
0.443 |
5 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
49 |
15 |
9437 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
9375 |
418.9 |
3.1 |
0.839 |
5 |
0 |
0 |
0.000 |
6 |
|
D |
46 |
13 |
9724 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
9574 |
418.2 |
2.8 |
0.821 |
6 |
0 |
0 |
0.000 |
Average: |
418.6 |
2.9 |
0.830 |
6 |
0 |
0 |
0.000 |
5 |
7 |
|
[BB2]B:203 |
24 |
1 |
584 |
f |
B |
x,y,z |
1_555 |
55 |
18 |
9375 |
368.2 |
0.5 |
0.383 |
7 |
0 |
0 |
0.040 |
8 |
|
[BB2]C:204 |
24 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
50 |
18 |
9437 |
357.8 |
1.0 |
0.475 |
7 |
0 |
0 |
0.040 |
9 |
|
[BB2]A:203 |
24 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
51 |
18 |
9574 |
351.5 |
-0.3 |
0.369 |
9 |
0 |
0 |
0.040 |
Average: |
359.2 |
0.4 |
0.409 |
8 |
0 |
0 |
0.040 |
6 |
10 |
|
[BB2]D:203 |
24 |
1 |
581 |
f |
D |
x,y,z |
1_555 |
49 |
17 |
9724 |
363.3 |
1.1 |
0.457 |
8 |
0 |
0 |
0.022 |
7 |
11 |
|
D |
34 |
11 |
9724 |
◊ |
A |
x-1,y,z+1 |
1_456 |
34 |
11 |
9574 |
355.5 |
1.4 |
0.743 |
5 |
11 |
0 |
0.000 |
8 |
12 |
|
C |
30 |
10 |
9437 |
◊ |
B |
x-1,y,z+1 |
1_456 |
34 |
13 |
9375 |
318.1 |
1.1 |
0.731 |
9 |
12 |
0 |
0.000 |
9 |
13 |
|
C |
29 |
7 |
9437 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
8 |
9724 |
308.3 |
2.7 |
0.830 |
7 |
2 |
0 |
0.000 |
10 |
14 |
|
B |
32 |
10 |
9375 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
9 |
9574 |
268.0 |
1.0 |
0.688 |
4 |
3 |
0 |
0.000 |
11 |
15 |
|
B |
31 |
9 |
9375 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
7 |
9437 |
259.8 |
0.9 |
0.666 |
7 |
4 |
0 |
0.000 |
12 |
16 |
|
A |
30 |
10 |
9574 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
4 |
9724 |
226.6 |
0.1 |
0.623 |
7 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
13 |
4 |
9724 |
◊ |
B |
x-1,y+1,z |
1_465 |
17 |
5 |
9375 |
164.1 |
-2.6 |
0.181 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
D |
15 |
5 |
9724 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
9574 |
129.6 |
0.7 |
0.677 |
3 |
4 |
0 |
0.000 |
15 |
19 |
|
C |
16 |
4 |
9437 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
9574 |
114.8 |
0.2 |
0.617 |
2 |
2 |
0 |
0.000 |
16 |
20 |
|
D |
11 |
3 |
9724 |
x |
D |
x-1,y,z |
1_455 |
12 |
5 |
9724 |
109.0 |
-1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
B |
14 |
4 |
9375 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
4 |
9724 |
95.2 |
-0.8 |
0.437 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[BB2]A:203 |
6 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
9375 |
91.6 |
-0.3 |
0.355 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[BB2]B:203 |
6 |
1 |
584 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
2 |
9574 |
78.4 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[BR]C:202 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9437 |
77.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.081 |
21 |
25 |
|
C |
6 |
3 |
9437 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
9574 |
69.3 |
-1.4 |
0.208 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[BB2]C:204 |
5 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
9724 |
68.6 |
-0.2 |
0.424 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
C |
11 |
5 |
9437 |
x |
C |
x-1,y,z |
1_455 |
7 |
5 |
9437 |
62.1 |
-0.8 |
0.368 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[BR]A:202 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
9574 |
54.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.092 |
29 |
|
[BR]D:202 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
9724 |
49.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.092 |
30 |
|
[BR]C:203 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
9437 |
49.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.092 |
31 |
|
[BR]B:202 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
9375 |
49.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
50.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.092 |
25 |
32 |
|
[BR]D:202 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9574 |
46.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.102 |
33 |
|
[BR]B:202 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9437 |
46.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
34 |
|
[BR]C:203 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9375 |
45.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
35 |
|
[BR]A:202 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
9724 |
43.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
45.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.102 |
26 |
36 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
9437 |
35.4 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.462 |
37 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9375 |
35.4 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.462 |
38 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9724 |
35.3 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.462 |
39 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9574 |
34.9 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.462 |
Average: |
35.2 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.462 |
27 |
40 |
|
D |
4 |
2 |
9724 |
◊ |
B |
x-1,y,z+1 |
1_456 |
1 |
1 |
9375 |
32.1 |
0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[BB2]A:203 |
5 |
1 |
573 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.242 |
42 |
|
[BB2]C:204 |
6 |
1 |
573 |
f |
[ZN]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.242 |
43 |
|
[BB2]D:203 |
6 |
1 |
581 |
f |
[ZN]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.242 |
44 |
|
[BB2]B:203 |
6 |
1 |
584 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
30.9 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.242 |
29 |
45 |
|
[BR]C:203 |
1 |
1 |
133 |
◊ |
[BR]B:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
27.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.046 |
30 |
46 |
|
[BR]D:202 |
1 |
1 |
133 |
◊ |
[BR]A:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
23.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.043 |
31 |
47 |
|
B |
1 |
1 |
9375 |
◊ |
A |
x-1,y-1,z |
1_445 |
2 |
1 |
9574 |
16.0 |
-0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
C |
3 |
2 |
9437 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
9375 |
12.8 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
A |
1 |
1 |
9574 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
9375 |
7.3 |
-0.0 |
0.420 |
0 |
0 |
0 |
0.000 |
|