## |
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 |
131 |
37 |
5732 |
◊ |
C |
x,y,z |
1_555 |
132 |
37 |
5746 |
1250.1 |
-17.3 |
0.065 |
14 |
0 |
0 |
0.396 |
2 |
|
B |
130 |
36 |
5751 |
◊ |
A |
x,y,z |
1_555 |
130 |
36 |
5722 |
1219.6 |
-17.5 |
0.071 |
13 |
0 |
0 |
0.396 |
Average: |
1234.9 |
-17.4 |
0.068 |
14 |
0 |
0 |
0.396 |
2 |
3 |
|
C |
53 |
14 |
5746 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
5722 |
486.2 |
-1.3 |
0.676 |
12 |
0 |
0 |
0.122 |
4 |
|
D |
52 |
14 |
5732 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
5751 |
482.1 |
-1.1 |
0.695 |
12 |
0 |
0 |
0.122 |
Average: |
484.1 |
-1.2 |
0.685 |
12 |
0 |
0 |
0.122 |
3 |
5 |
|
B |
38 |
13 |
5751 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
10 |
5722 |
298.8 |
-1.0 |
0.686 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
E |
22 |
6 |
1402 |
◊ |
F |
x-1,y,z |
1_455 |
21 |
6 |
1257 |
242.3 |
-7.3 |
0.511 |
0 |
0 |
0 |
0.795 |
5 |
7 |
|
D |
23 |
11 |
5732 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
5722 |
199.7 |
-2.5 |
0.285 |
2 |
3 |
0 |
0.055 |
8 |
|
C |
22 |
11 |
5746 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
5751 |
195.1 |
-2.3 |
0.315 |
2 |
4 |
0 |
0.055 |
Average: |
197.4 |
-2.4 |
0.300 |
2 |
4 |
0 |
0.055 |
6 |
9 |
|
D |
23 |
10 |
5732 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
25 |
10 |
5746 |
175.4 |
-0.7 |
0.640 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[ZDC]C:303 |
12 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
21 |
12 |
5732 |
158.1 |
0.5 |
0.574 |
1 |
0 |
0 |
0.019 |
11 |
|
[ZDC]E:1 |
12 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
21 |
12 |
5722 |
131.5 |
0.4 |
0.547 |
2 |
0 |
0 |
0.019 |
12 |
|
[ZDC]F:1 |
12 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
20 |
12 |
5751 |
127.4 |
0.6 |
0.610 |
2 |
0 |
0 |
0.019 |
Average: |
139.0 |
0.5 |
0.577 |
2 |
0 |
0 |
0.019 |
8 |
13 |
|
[ZDC]G:1 |
12 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
22 |
12 |
5746 |
157.5 |
-0.7 |
0.459 |
1 |
0 |
0 |
0.049 |
9 |
14 |
|
C |
17 |
7 |
5746 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
5722 |
136.9 |
-0.4 |
0.588 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
E |
10 |
3 |
1402 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
5722 |
136.5 |
-0.6 |
0.687 |
1 |
0 |
0 |
0.044 |
11 |
16 |
|
D |
11 |
5 |
5732 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
14 |
5 |
5722 |
130.3 |
-0.2 |
0.648 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
12 |
3 |
5746 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
16 |
3 |
1402 |
122.8 |
-0.8 |
0.600 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
F |
8 |
3 |
1257 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
5751 |
83.0 |
-0.9 |
0.693 |
0 |
0 |
0 |
0.036 |
14 |
19 |
|
A |
8 |
3 |
5722 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
3 |
1257 |
73.2 |
-1.1 |
0.556 |
1 |
0 |
0 |
0.013 |
15 |
20 |
|
[ZDC]E:1 |
6 |
1 |
329 |
cf |
E |
x,y,z |
1_555 |
8 |
4 |
1402 |
70.4 |
-0.0 |
0.559 |
1 |
0 |
0 |
0.052 |
16 |
21 |
|
[ZDC]F:1 |
7 |
1 |
332 |
cf |
F |
x,y,z |
1_555 |
9 |
4 |
1257 |
67.5 |
-0.1 |
0.592 |
2 |
0 |
0 |
1.000 |
17 |
22 |
|
[ZDC]G:1 |
5 |
1 |
333 |
cf |
G |
x,y,z |
1_555 |
6 |
2 |
371 |
60.2 |
1.3 |
0.763 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[NH2]F:202 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
4 |
1257 |
57.8 |
0.9 |
0.932 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]E:202 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
4 |
1402 |
51.8 |
0.8 |
0.858 |
0 |
0 |
0 |
0.000 |
Average: |
54.8 |
0.8 |
0.895 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
E |
6 |
3 |
1402 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
3 |
5751 |
55.4 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
G |
6 |
2 |
371 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
5746 |
49.5 |
-0.7 |
0.464 |
1 |
0 |
0 |
0.047 |
21 |
27 |
|
E |
5 |
2 |
1402 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
5722 |
47.8 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
E |
6 |
2 |
1402 |
◊ |
[ZDC]F:1 |
x-1,y,z |
1_455 |
5 |
1 |
332 |
46.9 |
-1.0 |
0.447 |
0 |
0 |
0 |
0.109 |
23 |
29 |
|
B |
4 |
2 |
5751 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
1257 |
40.0 |
-0.7 |
0.526 |
0 |
0 |
0 |
0.005 |
24 |
30 |
|
[ZDC]E:1 |
4 |
1 |
329 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
3 |
1257 |
37.8 |
-1.1 |
0.412 |
0 |
0 |
0 |
0.117 |
25 |
31 |
|
[ZDC]C:303 |
4 |
1 |
332 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5746 |
36.5 |
0.6 |
0.672 |
0 |
0 |
0 |
0.000 |
32 |
|
[ZDC]E:1 |
4 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5751 |
28.9 |
0.5 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
0.6 |
0.656 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[ZDC]G:1 |
4 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5732 |
35.0 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
G |
4 |
2 |
371 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
2 |
1402 |
32.8 |
-0.7 |
0.694 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[ZDC]F:1 |
4 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5722 |
29.8 |
0.5 |
0.671 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
5732 |
28.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.345 |
37 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5722 |
28.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.345 |
38 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5751 |
28.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.345 |
39 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
5746 |
28.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.345 |
Average: |
28.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.345 |
30 |
40 |
|
[NH2]E:202 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
5751 |
25.9 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
5746 |
25.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.260 |
42 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
5732 |
25.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.260 |
43 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
5751 |
25.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.260 |
44 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
5722 |
25.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
25.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.260 |
32 |
45 |
|
[ZDC]C:303 |
3 |
1 |
332 |
◊ |
[CA]D:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.171 |
46 |
|
[ZDC]G:1 |
4 |
1 |
333 |
◊ |
[CA]C:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.171 |
47 |
|
[ZDC]E:1 |
4 |
1 |
329 |
◊ |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.171 |
48 |
|
[ZDC]F:1 |
3 |
1 |
332 |
◊ |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
23.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.171 |
33 |
49 |
|
[ZDC]C:303 |
4 |
1 |
332 |
◊ |
[CA]C:304 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.133 |
50 |
|
[ZDC]G:1 |
4 |
1 |
333 |
◊ |
[CA]C:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.133 |
51 |
|
[ZDC]E:1 |
4 |
1 |
329 |
◊ |
[CA]A:302 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.133 |
52 |
|
[ZDC]F:1 |
4 |
1 |
332 |
◊ |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
21.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.133 |
34 |
53 |
|
[CA]C:302 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5732 |
17.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.072 |
54 |
|
[CA]C:304 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5746 |
17.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.072 |
55 |
|
[CA]A:303 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5722 |
16.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.072 |
56 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5751 |
15.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
16.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.072 |
35 |
57 |
|
B |
4 |
3 |
5751 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
3 |
5722 |
16.3 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
C |
1 |
1 |
5746 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5751 |
12.5 |
0.0 |
0.422 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.090 |
38 |
60 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.089 |
39 |
61 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
[CA]C:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.090 |
40 |
62 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
[CA]C:304 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.093 |
41 |
63 |
|
G |
1 |
1 |
371 |
◊ |
[NH2]E:202 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
117 |
4.4 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
42 |
64 |
|
A |
1 |
1 |
5722 |
◊ |
[NH2]F:202 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
4.3 |
0.1 |
0.852 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
[NH2]E:202 |
1 |
1 |
117 |
◊ |
[ZDC]F:1 |
x-1,y,z |
1_455 |
1 |
1 |
332 |
2.8 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
44 |
66 |
|
B |
1 |
1 |
5751 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
5732 |
2.6 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
45 |
67 |
|
F |
1 |
1 |
1257 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
5722 |
1.9 |
0.1 |
0.825 |
0 |
0 |
0 |
0.000 |
|