## |
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 |
655 |
156 |
33754 |
◊ |
B |
x,y,z |
1_555 |
655 |
160 |
33495 |
6587.0 |
-98.6 |
0.000 |
75 |
26 |
0 |
0.818 |
2 |
|
C |
651 |
156 |
33292 |
◊ |
A |
x,y,z |
1_555 |
668 |
157 |
33478 |
6532.2 |
-97.8 |
0.000 |
78 |
26 |
0 |
0.818 |
Average: |
6559.6 |
-98.2 |
0.000 |
77 |
26 |
0 |
0.818 |
2 |
3 |
|
H |
284 |
62 |
8086 |
◊ |
D |
x,y,z |
1_555 |
326 |
84 |
33754 |
2956.1 |
-41.4 |
0.046 |
39 |
23 |
0 |
0.801 |
4 |
|
F |
285 |
63 |
8072 |
◊ |
B |
x,y,z |
1_555 |
320 |
84 |
33495 |
2929.3 |
-42.7 |
0.026 |
36 |
19 |
0 |
0.801 |
5 |
|
E |
276 |
63 |
8087 |
◊ |
A |
x,y,z |
1_555 |
312 |
81 |
33478 |
2900.3 |
-39.5 |
0.048 |
34 |
17 |
0 |
0.801 |
6 |
|
G |
293 |
63 |
8112 |
◊ |
C |
x,y,z |
1_555 |
307 |
83 |
33292 |
2891.1 |
-43.0 |
0.028 |
31 |
25 |
0 |
0.801 |
Average: |
2919.2 |
-41.7 |
0.037 |
35 |
21 |
0 |
0.801 |
3 |
7 |
|
[B12]B:1801 |
60 |
1 |
1508 |
f |
B |
x,y,z |
1_555 |
87 |
29 |
33495 |
675.5 |
-8.1 |
0.459 |
14 |
0 |
0 |
0.205 |
8 |
|
[B12]D:1801 |
61 |
1 |
1504 |
f |
D |
x,y,z |
1_555 |
88 |
30 |
33754 |
669.8 |
-9.1 |
0.411 |
11 |
0 |
0 |
0.205 |
9 |
|
[B12]C:1801 |
62 |
1 |
1519 |
f |
C |
x,y,z |
1_555 |
88 |
29 |
33292 |
669.0 |
-8.8 |
0.429 |
12 |
0 |
0 |
0.205 |
10 |
|
[B12]A:1801 |
57 |
1 |
1503 |
f |
A |
x,y,z |
1_555 |
85 |
29 |
33478 |
662.9 |
-9.3 |
0.342 |
13 |
0 |
0 |
0.205 |
Average: |
669.3 |
-8.8 |
0.410 |
13 |
0 |
0 |
0.205 |
4 |
11 |
|
D |
48 |
13 |
33754 |
◊ |
B |
x-1,y,z |
1_455 |
48 |
17 |
33495 |
430.0 |
0.7 |
0.807 |
4 |
2 |
0 |
0.000 |
12 |
|
C |
38 |
11 |
33292 |
◊ |
A |
x-1,y,z |
1_455 |
40 |
13 |
33478 |
353.2 |
0.3 |
0.784 |
2 |
1 |
0 |
0.000 |
Average: |
391.6 |
0.5 |
0.796 |
3 |
2 |
0 |
0.000 |
5 |
13 |
|
F |
34 |
11 |
8072 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
33478 |
316.9 |
0.2 |
0.749 |
3 |
0 |
0 |
0.000 |
6 |
14 |
|
[B12]C:1801 |
24 |
1 |
1519 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
33478 |
263.6 |
-2.3 |
0.598 |
0 |
0 |
0 |
0.039 |
15 |
|
[B12]A:1801 |
25 |
1 |
1503 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
33292 |
254.5 |
-2.6 |
0.581 |
1 |
0 |
0 |
0.039 |
16 |
|
[B12]D:1801 |
20 |
1 |
1504 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
33495 |
248.8 |
-3.0 |
0.491 |
1 |
0 |
0 |
0.039 |
17 |
|
[B12]B:1801 |
24 |
1 |
1508 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
33754 |
235.6 |
-3.1 |
0.515 |
0 |
0 |
0 |
0.039 |
Average: |
250.6 |
-2.7 |
0.546 |
1 |
0 |
0 |
0.039 |
7 |
18 |
|
E |
26 |
7 |
8087 |
◊ |
D |
x,y,z |
1_555 |
24 |
6 |
33754 |
220.4 |
-1.2 |
0.590 |
4 |
0 |
0 |
0.000 |
8 |
19 |
|
H |
20 |
6 |
8086 |
◊ |
F |
x-1,y,z-1 |
1_454 |
24 |
7 |
8072 |
191.7 |
-1.4 |
0.534 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
B |
17 |
6 |
33495 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
16 |
6 |
33292 |
168.0 |
-1.7 |
0.434 |
2 |
2 |
0 |
0.000 |
10 |
21 |
|
[5AD]A:1500 |
14 |
1 |
419 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
33478 |
158.1 |
-1.6 |
0.221 |
0 |
0 |
0 |
0.026 |
22 |
|
[5AD]C:1500 |
16 |
1 |
422 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
33292 |
149.2 |
-2.0 |
0.197 |
0 |
0 |
0 |
0.026 |
23 |
|
[5AD]D:1500 |
15 |
1 |
422 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
33754 |
145.6 |
-2.0 |
0.186 |
0 |
0 |
0 |
0.026 |
Average: |
151.0 |
-1.9 |
0.201 |
0 |
0 |
0 |
0.026 |
11 |
24 |
|
B |
18 |
7 |
33495 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
17 |
6 |
33478 |
148.6 |
1.2 |
0.834 |
1 |
6 |
0 |
0.000 |
25 |
|
D |
10 |
5 |
33754 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
5 |
33292 |
79.5 |
2.3 |
0.926 |
2 |
3 |
0 |
0.000 |
Average: |
114.0 |
1.8 |
0.880 |
2 |
5 |
0 |
0.000 |
12 |
26 |
|
[5AD]B:1500 |
18 |
1 |
417 |
◊ |
[B12]D:1801 |
x,y,z |
1_555 |
19 |
1 |
1504 |
147.3 |
2.1 |
0.469 |
0 |
0 |
0 |
0.000 |
27 |
|
[5AD]D:1500 |
17 |
1 |
422 |
◊ |
[B12]B:1801 |
x,y,z |
1_555 |
20 |
1 |
1508 |
146.8 |
2.8 |
0.527 |
0 |
0 |
0 |
0.000 |
28 |
|
[5AD]A:1500 |
17 |
1 |
419 |
◊ |
[B12]C:1801 |
x,y,z |
1_555 |
20 |
1 |
1519 |
142.2 |
2.7 |
0.511 |
0 |
0 |
0 |
0.000 |
29 |
|
[5AD]C:1500 |
17 |
1 |
422 |
◊ |
[B12]A:1801 |
x,y,z |
1_555 |
20 |
1 |
1503 |
137.7 |
2.6 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
143.5 |
2.6 |
0.507 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
[5AD]B:1500 |
16 |
1 |
417 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
33495 |
143.2 |
-1.0 |
0.245 |
0 |
0 |
0 |
0.013 |
14 |
31 |
|
D |
9 |
4 |
33754 |
◊ |
F |
x-1,y,z-1 |
1_454 |
7 |
2 |
8072 |
86.9 |
-0.7 |
0.443 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
3 |
1 |
8086 |
◊ |
B |
x-1,y,z-1 |
1_454 |
3 |
3 |
33495 |
19.9 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
D |
9 |
3 |
33754 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
4 |
8072 |
74.3 |
0.9 |
0.737 |
0 |
1 |
0 |
0.000 |
34 |
|
H |
2 |
2 |
8086 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
33495 |
3.6 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
Average: |
39.0 |
0.4 |
0.617 |
0 |
1 |
0 |
0.000 |
16 |
35 |
|
C |
7 |
3 |
33292 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
3 |
8087 |
58.5 |
-0.6 |
0.354 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
G |
7 |
2 |
8112 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
33495 |
57.8 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
E |
8 |
4 |
8087 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
33495 |
51.6 |
0.2 |
0.707 |
1 |
0 |
0 |
0.000 |
19 |
38 |
|
E |
7 |
3 |
8087 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
33478 |
41.1 |
-0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
D |
5 |
2 |
33754 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
33478 |
37.0 |
1.0 |
0.868 |
1 |
1 |
0 |
0.000 |
21 |
40 |
|
B |
3 |
1 |
33495 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
33478 |
36.8 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
B |
4 |
1 |
33495 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
33478 |
36.0 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
H |
9 |
4 |
8086 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
33478 |
35.4 |
0.8 |
0.797 |
0 |
1 |
0 |
0.000 |
24 |
43 |
|
C |
4 |
3 |
33292 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
33495 |
30.7 |
0.5 |
0.606 |
0 |
0 |
0 |
0.000 |
25 |
44 |
|
D |
5 |
3 |
33754 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
8112 |
27.0 |
0.3 |
0.611 |
0 |
0 |
0 |
0.000 |
26 |
45 |
|
H |
6 |
2 |
8086 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
2 |
8112 |
26.7 |
0.5 |
0.756 |
0 |
0 |
0 |
0.000 |
27 |
46 |
|
A |
2 |
1 |
33478 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
8112 |
24.9 |
-0.1 |
0.348 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
[5AD]C:1500 |
1 |
1 |
422 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33478 |
19.6 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
48 |
|
[5AD]D:1500 |
1 |
1 |
422 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
33495 |
19.5 |
1.3 |
0.855 |
0 |
0 |
0 |
0.000 |
49 |
|
[5AD]A:1500 |
1 |
1 |
419 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
33292 |
19.1 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
50 |
|
[5AD]B:1500 |
1 |
1 |
417 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
33754 |
18.5 |
1.2 |
0.862 |
0 |
0 |
0 |
0.000 |
Average: |
19.2 |
1.3 |
0.857 |
0 |
0 |
0 |
0.000 |
29 |
51 |
|
D |
1 |
1 |
33754 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
33478 |
18.6 |
-0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
[5AD]A:1500 |
3 |
1 |
419 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8087 |
18.5 |
0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
53 |
|
[5AD]C:1500 |
2 |
1 |
422 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8112 |
17.1 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
54 |
|
[5AD]D:1500 |
2 |
1 |
422 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8086 |
14.5 |
0.0 |
0.375 |
0 |
0 |
0 |
0.000 |
55 |
|
[5AD]B:1500 |
1 |
1 |
417 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8072 |
5.6 |
0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
13.9 |
0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
D |
5 |
3 |
33754 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
3 |
33292 |
17.0 |
0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
32 |
57 |
|
D |
1 |
1 |
33754 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
33478 |
8.1 |
0.2 |
0.839 |
0 |
0 |
0 |
0.000 |
33 |
58 |
|
F |
2 |
1 |
8072 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
33292 |
4.9 |
0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
E |
1 |
1 |
8087 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
8112 |
4.8 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
B |
1 |
1 |
33495 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
33495 |
0.5 |
0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
|