## |
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 |
653 |
156 |
33443 |
◊ |
B |
x,y,z |
1_555 |
655 |
155 |
33490 |
6536.9 |
-94.0 |
0.000 |
80 |
29 |
0 |
0.780 |
2 |
|
C |
653 |
157 |
33276 |
◊ |
A |
x,y,z |
1_555 |
668 |
159 |
33392 |
6536.3 |
-94.6 |
0.000 |
80 |
24 |
0 |
0.780 |
Average: |
6536.6 |
-94.3 |
0.000 |
80 |
27 |
0 |
0.780 |
2 |
3 |
|
H |
280 |
62 |
8042 |
◊ |
D |
x,y,z |
1_555 |
319 |
84 |
33443 |
2970.7 |
-40.8 |
0.047 |
38 |
22 |
0 |
0.819 |
4 |
|
F |
280 |
63 |
8065 |
◊ |
B |
x,y,z |
1_555 |
320 |
83 |
33490 |
2910.6 |
-40.6 |
0.034 |
39 |
22 |
0 |
0.819 |
5 |
|
E |
281 |
61 |
8047 |
◊ |
A |
x,y,z |
1_555 |
313 |
82 |
33392 |
2909.3 |
-41.3 |
0.036 |
37 |
19 |
0 |
0.819 |
6 |
|
G |
282 |
61 |
7988 |
◊ |
C |
x,y,z |
1_555 |
315 |
83 |
33276 |
2903.2 |
-42.9 |
0.033 |
35 |
23 |
0 |
0.819 |
Average: |
2923.5 |
-41.4 |
0.037 |
37 |
22 |
0 |
0.819 |
3 |
7 |
|
[B12]B:1801 |
61 |
1 |
1525 |
f |
B |
x,y,z |
1_555 |
87 |
28 |
33490 |
662.8 |
-8.8 |
0.409 |
14 |
0 |
0 |
0.199 |
8 |
|
[B12]C:1801 |
60 |
1 |
1529 |
f |
C |
x,y,z |
1_555 |
84 |
28 |
33276 |
657.7 |
-8.7 |
0.385 |
12 |
0 |
0 |
0.199 |
9 |
|
[B12]A:1801 |
61 |
1 |
1519 |
f |
A |
x,y,z |
1_555 |
84 |
29 |
33392 |
657.5 |
-9.2 |
0.367 |
13 |
0 |
0 |
0.199 |
10 |
|
[B12]D:1801 |
60 |
1 |
1519 |
f |
D |
x,y,z |
1_555 |
86 |
29 |
33443 |
657.1 |
-8.6 |
0.399 |
11 |
0 |
0 |
0.199 |
Average: |
658.8 |
-8.8 |
0.390 |
13 |
0 |
0 |
0.199 |
4 |
11 |
|
D |
43 |
13 |
33443 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
12 |
33490 |
388.8 |
0.3 |
0.712 |
2 |
3 |
0 |
0.000 |
12 |
|
C |
37 |
11 |
33276 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
14 |
33392 |
337.5 |
-0.6 |
0.671 |
2 |
2 |
0 |
0.000 |
Average: |
363.2 |
-0.2 |
0.692 |
2 |
3 |
0 |
0.000 |
5 |
13 |
|
F |
31 |
10 |
8065 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
33392 |
300.8 |
0.3 |
0.741 |
2 |
0 |
0 |
0.000 |
6 |
14 |
|
[B12]D:1801 |
24 |
1 |
1519 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
33490 |
277.2 |
-2.4 |
0.548 |
1 |
0 |
0 |
0.032 |
15 |
|
[B12]A:1801 |
23 |
1 |
1519 |
◊ |
C |
x,y,z |
1_555 |
32 |
12 |
33276 |
274.9 |
-2.1 |
0.571 |
1 |
0 |
0 |
0.032 |
16 |
|
[B12]B:1801 |
22 |
1 |
1525 |
◊ |
D |
x,y,z |
1_555 |
31 |
12 |
33443 |
252.1 |
-2.2 |
0.595 |
1 |
0 |
0 |
0.032 |
17 |
|
[B12]C:1801 |
21 |
1 |
1529 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
33392 |
251.2 |
-1.8 |
0.610 |
1 |
0 |
0 |
0.032 |
Average: |
263.9 |
-2.1 |
0.581 |
1 |
0 |
0 |
0.032 |
7 |
18 |
|
[PLP]B:1802 |
15 |
1 |
383 |
◊ |
D |
x,y,z |
1_555 |
45 |
18 |
33443 |
235.0 |
-0.4 |
0.595 |
11 |
0 |
0 |
0.061 |
19 |
|
[PLP]A:1802 |
15 |
1 |
384 |
◊ |
C |
x,y,z |
1_555 |
46 |
18 |
33276 |
234.3 |
-0.3 |
0.625 |
11 |
0 |
0 |
0.061 |
20 |
|
[PLP]D:1802 |
15 |
1 |
390 |
◊ |
B |
x,y,z |
1_555 |
44 |
17 |
33490 |
234.0 |
-0.2 |
0.607 |
11 |
0 |
0 |
0.061 |
21 |
|
[PLP]C:1802 |
15 |
1 |
386 |
◊ |
A |
x,y,z |
1_555 |
43 |
17 |
33392 |
233.2 |
-0.3 |
0.608 |
11 |
0 |
0 |
0.061 |
Average: |
234.1 |
-0.3 |
0.609 |
11 |
0 |
0 |
0.061 |
8 |
22 |
|
E |
27 |
7 |
8047 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
33443 |
231.5 |
-1.6 |
0.541 |
4 |
0 |
0 |
0.000 |
9 |
23 |
|
B |
19 |
7 |
33490 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
6 |
33276 |
201.0 |
-3.2 |
0.222 |
0 |
2 |
0 |
0.000 |
10 |
24 |
|
H |
17 |
6 |
8042 |
◊ |
F |
x-1,y,z-1 |
1_454 |
26 |
6 |
8065 |
182.0 |
-1.3 |
0.538 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
[5AD]B:767 |
14 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
33490 |
150.3 |
-0.9 |
0.239 |
0 |
0 |
0 |
0.014 |
26 |
|
[5AD]D:767 |
14 |
1 |
412 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
33443 |
149.3 |
-1.0 |
0.236 |
0 |
0 |
0 |
0.014 |
27 |
|
[5AD]C:767 |
14 |
1 |
414 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
33276 |
149.0 |
-1.1 |
0.239 |
0 |
0 |
0 |
0.014 |
28 |
|
[5AD]A:767 |
14 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
33392 |
147.9 |
-1.0 |
0.239 |
0 |
0 |
0 |
0.014 |
Average: |
149.1 |
-1.0 |
0.238 |
0 |
0 |
0 |
0.014 |
12 |
29 |
|
[5AD]C:767 |
18 |
1 |
414 |
◊ |
[B12]A:1801 |
x,y,z |
1_555 |
17 |
1 |
1519 |
141.9 |
1.9 |
0.423 |
0 |
0 |
0 |
0.000 |
30 |
|
[5AD]A:767 |
17 |
1 |
412 |
◊ |
[B12]C:1801 |
x,y,z |
1_555 |
20 |
1 |
1529 |
141.7 |
1.8 |
0.442 |
0 |
0 |
0 |
0.000 |
31 |
|
[5AD]D:767 |
18 |
1 |
412 |
◊ |
[B12]B:1801 |
x,y,z |
1_555 |
17 |
1 |
1525 |
139.6 |
1.9 |
0.425 |
0 |
0 |
0 |
0.000 |
32 |
|
[5AD]B:767 |
18 |
1 |
412 |
◊ |
[B12]D:1801 |
x,y,z |
1_555 |
20 |
1 |
1519 |
138.1 |
1.8 |
0.440 |
0 |
0 |
0 |
0.000 |
Average: |
140.3 |
1.8 |
0.433 |
0 |
0 |
0 |
0.000 |
13 |
33 |
|
B |
14 |
6 |
33490 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
6 |
33392 |
125.2 |
2.5 |
0.926 |
2 |
3 |
0 |
0.000 |
34 |
|
D |
9 |
4 |
33443 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
8 |
4 |
33276 |
80.0 |
2.3 |
0.923 |
2 |
3 |
0 |
0.000 |
Average: |
102.6 |
2.4 |
0.924 |
2 |
3 |
0 |
0.000 |
14 |
35 |
|
[PLP]D:1802 |
9 |
1 |
390 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
33443 |
79.1 |
0.9 |
0.712 |
0 |
0 |
0 |
0.000 |
36 |
|
[PLP]C:1802 |
9 |
1 |
386 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
33276 |
78.2 |
1.2 |
0.728 |
0 |
0 |
0 |
0.000 |
37 |
|
[PLP]B:1802 |
9 |
1 |
383 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
33490 |
75.9 |
1.5 |
0.726 |
0 |
0 |
0 |
0.000 |
38 |
|
[PLP]A:1802 |
9 |
1 |
384 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
33392 |
75.3 |
1.1 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
77.1 |
1.2 |
0.723 |
0 |
0 |
0 |
0.000 |
15 |
39 |
|
D |
6 |
3 |
33443 |
◊ |
F |
x-1,y,z-1 |
1_454 |
8 |
2 |
8065 |
72.1 |
-1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
1 |
1 |
8042 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
33490 |
2.1 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
37.1 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.000 |
16 |
41 |
|
D |
8 |
3 |
33443 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
4 |
8065 |
70.4 |
0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
4 |
2 |
33276 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
8047 |
34.0 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
52.2 |
0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
17 |
43 |
|
G |
8 |
3 |
7988 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
33490 |
65.4 |
0.1 |
0.692 |
1 |
0 |
0 |
0.000 |
18 |
44 |
|
H |
9 |
4 |
8042 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
33392 |
40.4 |
1.0 |
0.809 |
1 |
1 |
0 |
0.000 |
19 |
45 |
|
A |
3 |
1 |
33392 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
1 |
7988 |
35.9 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
20 |
46 |
|
E |
2 |
2 |
8047 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
33392 |
33.2 |
-0.4 |
0.410 |
0 |
0 |
0 |
0.000 |
21 |
47 |
|
B |
4 |
2 |
33490 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
33392 |
30.9 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
22 |
48 |
|
E |
2 |
2 |
8047 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
33490 |
30.5 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
23 |
49 |
|
D |
1 |
1 |
33443 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
33443 |
26.3 |
1.1 |
0.907 |
1 |
1 |
0 |
0.000 |
50 |
|
C |
2 |
1 |
33276 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
33276 |
18.1 |
0.8 |
0.878 |
0 |
0 |
0 |
0.000 |
Average: |
22.2 |
0.9 |
0.892 |
1 |
1 |
0 |
0.000 |
24 |
51 |
|
B |
3 |
1 |
33490 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
33392 |
22.6 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
25 |
52 |
|
[5AD]C:767 |
1 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33392 |
19.8 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
53 |
|
[5AD]D:767 |
1 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
33490 |
19.3 |
1.3 |
0.864 |
0 |
0 |
0 |
0.000 |
54 |
|
[5AD]A:767 |
1 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
33276 |
18.9 |
1.3 |
0.857 |
0 |
0 |
0 |
0.000 |
55 |
|
[5AD]B:767 |
1 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
33443 |
17.6 |
1.2 |
0.863 |
0 |
0 |
0 |
0.000 |
Average: |
18.9 |
1.3 |
0.860 |
0 |
0 |
0 |
0.000 |
26 |
56 |
|
H |
5 |
2 |
8042 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
3 |
7988 |
17.8 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
27 |
57 |
|
[5AD]A:767 |
2 |
1 |
412 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8047 |
15.0 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
58 |
|
[5AD]D:767 |
2 |
1 |
412 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8042 |
13.7 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
59 |
|
[5AD]C:767 |
2 |
1 |
414 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
7988 |
12.9 |
0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
60 |
|
[5AD]B:767 |
2 |
1 |
412 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8065 |
12.8 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
28 |
61 |
|
F |
1 |
1 |
8065 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
33276 |
6.9 |
0.3 |
0.858 |
0 |
0 |
0 |
0.000 |
29 |
62 |
|
D |
3 |
2 |
33443 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
33276 |
5.8 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
C |
1 |
1 |
33276 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
33490 |
5.4 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
D |
1 |
1 |
33443 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
33392 |
4.4 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
32 |
65 |
|
D |
2 |
2 |
33443 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
7988 |
3.8 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
E |
1 |
1 |
8047 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
7988 |
0.6 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
|