## |
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 |
676 |
158 |
33548 |
◊ |
B |
x,y,z |
1_555 |
660 |
159 |
33512 |
6609.6 |
-96.2 |
0.001 |
73 |
25 |
0 |
0.821 |
2 |
|
C |
658 |
155 |
33394 |
◊ |
A |
x,y,z |
1_555 |
658 |
157 |
33682 |
6548.0 |
-90.7 |
0.001 |
78 |
25 |
0 |
0.821 |
Average: |
6578.8 |
-93.5 |
0.001 |
76 |
25 |
0 |
0.821 |
2 |
3 |
|
H |
282 |
63 |
8091 |
◊ |
D |
x,y,z |
1_555 |
322 |
84 |
33548 |
2946.3 |
-42.0 |
0.049 |
37 |
22 |
0 |
0.804 |
4 |
|
F |
275 |
62 |
8025 |
◊ |
B |
x,y,z |
1_555 |
321 |
83 |
33512 |
2922.4 |
-42.0 |
0.035 |
38 |
21 |
0 |
0.804 |
5 |
|
E |
280 |
60 |
8083 |
◊ |
A |
x,y,z |
1_555 |
316 |
84 |
33682 |
2911.5 |
-41.5 |
0.044 |
35 |
22 |
0 |
0.804 |
6 |
|
G |
278 |
62 |
8020 |
◊ |
C |
x,y,z |
1_555 |
319 |
84 |
33394 |
2887.7 |
-42.5 |
0.040 |
42 |
22 |
0 |
0.804 |
Average: |
2917.0 |
-42.0 |
0.042 |
38 |
22 |
0 |
0.804 |
3 |
7 |
|
[B12]C:1801 |
64 |
1 |
1534 |
f |
C |
x,y,z |
1_555 |
88 |
30 |
33394 |
671.8 |
-8.7 |
0.435 |
14 |
0 |
0 |
0.194 |
8 |
|
[B12]B:1801 |
63 |
1 |
1532 |
f |
B |
x,y,z |
1_555 |
85 |
29 |
33512 |
671.1 |
-8.8 |
0.422 |
14 |
0 |
0 |
0.194 |
9 |
|
[B12]D:1801 |
61 |
1 |
1533 |
f |
D |
x,y,z |
1_555 |
88 |
27 |
33548 |
663.1 |
-9.6 |
0.409 |
10 |
0 |
0 |
0.194 |
10 |
|
[B12]A:1801 |
58 |
1 |
1507 |
f |
A |
x,y,z |
1_555 |
85 |
27 |
33682 |
659.0 |
-8.9 |
0.386 |
13 |
0 |
0 |
0.194 |
Average: |
666.2 |
-9.0 |
0.413 |
13 |
0 |
0 |
0.194 |
4 |
11 |
|
D |
44 |
13 |
33548 |
◊ |
B |
x-1,y,z |
1_455 |
49 |
15 |
33512 |
432.9 |
-1.2 |
0.707 |
2 |
2 |
0 |
0.000 |
5 |
12 |
|
C |
40 |
11 |
33394 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
14 |
33682 |
335.6 |
-0.2 |
0.675 |
1 |
1 |
0 |
0.000 |
6 |
13 |
|
F |
34 |
10 |
8025 |
◊ |
A |
x,y,z |
1_555 |
37 |
16 |
33682 |
306.1 |
-0.0 |
0.740 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
[B12]D:1801 |
25 |
1 |
1533 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
33512 |
282.6 |
-2.0 |
0.608 |
1 |
0 |
0 |
0.036 |
15 |
|
[B12]C:1801 |
22 |
1 |
1534 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
33682 |
267.8 |
-2.6 |
0.559 |
0 |
0 |
0 |
0.036 |
16 |
|
[B12]A:1801 |
24 |
1 |
1507 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
33394 |
267.2 |
-2.3 |
0.581 |
2 |
0 |
0 |
0.036 |
17 |
|
[B12]B:1801 |
24 |
1 |
1532 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
33548 |
251.6 |
-2.0 |
0.614 |
1 |
0 |
0 |
0.036 |
Average: |
267.3 |
-2.2 |
0.591 |
1 |
0 |
0 |
0.036 |
8 |
18 |
|
E |
28 |
7 |
8083 |
◊ |
D |
x,y,z |
1_555 |
23 |
6 |
33548 |
229.8 |
-1.2 |
0.613 |
4 |
0 |
0 |
0.000 |
9 |
19 |
|
B |
18 |
7 |
33512 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
8 |
33682 |
200.5 |
2.6 |
0.911 |
4 |
12 |
0 |
0.000 |
10 |
20 |
|
B |
17 |
6 |
33512 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
19 |
7 |
33394 |
198.4 |
-2.3 |
0.343 |
1 |
3 |
0 |
0.000 |
11 |
21 |
|
H |
20 |
6 |
8091 |
◊ |
F |
x-1,y,z-1 |
1_454 |
27 |
7 |
8025 |
186.6 |
-1.5 |
0.547 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[5AD]C:1500 |
15 |
1 |
406 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
33394 |
148.7 |
-1.1 |
0.245 |
0 |
0 |
0 |
0.013 |
13 |
23 |
|
[5AD]D:1500 |
15 |
1 |
403 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
33548 |
147.6 |
-0.7 |
0.213 |
1 |
0 |
0 |
0.015 |
24 |
|
[5AD]B:1500 |
14 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
33512 |
143.9 |
-0.7 |
0.242 |
0 |
0 |
0 |
0.015 |
25 |
|
[5AD]A:1500 |
15 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
33682 |
142.9 |
-0.3 |
0.181 |
1 |
0 |
0 |
0.015 |
Average: |
144.8 |
-0.6 |
0.212 |
1 |
0 |
0 |
0.015 |
14 |
26 |
|
[5AD]B:1500 |
17 |
1 |
405 |
◊ |
[B12]D:1801 |
x,y,z |
1_555 |
22 |
1 |
1533 |
144.9 |
2.3 |
0.479 |
0 |
0 |
0 |
0.000 |
27 |
|
[5AD]D:1500 |
16 |
1 |
403 |
◊ |
[B12]B:1801 |
x,y,z |
1_555 |
20 |
1 |
1532 |
143.5 |
2.4 |
0.461 |
0 |
0 |
0 |
0.000 |
28 |
|
[5AD]C:1500 |
17 |
1 |
406 |
◊ |
[B12]A:1801 |
x,y,z |
1_555 |
24 |
1 |
1507 |
137.0 |
2.3 |
0.524 |
0 |
0 |
0 |
0.000 |
Average: |
141.8 |
2.3 |
0.488 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
[5AD]A:1500 |
16 |
1 |
393 |
◊ |
[B12]C:1801 |
x,y,z |
1_555 |
22 |
1 |
1534 |
142.1 |
2.3 |
0.424 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
G |
11 |
4 |
8020 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
33512 |
78.4 |
0.6 |
0.765 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
D |
9 |
4 |
33548 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
10 |
4 |
33394 |
77.1 |
2.1 |
0.915 |
2 |
3 |
0 |
0.000 |
18 |
32 |
|
D |
7 |
3 |
33548 |
◊ |
F |
x-1,y,z-1 |
1_454 |
6 |
2 |
8025 |
72.0 |
-1.3 |
0.314 |
0 |
0 |
0 |
0.000 |
33 |
|
H |
4 |
1 |
8091 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
3 |
33512 |
12.4 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
Average: |
42.2 |
-0.6 |
0.490 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
D |
8 |
3 |
33548 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
3 |
8025 |
59.0 |
1.1 |
0.830 |
1 |
0 |
0 |
0.000 |
35 |
|
H |
2 |
2 |
8091 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
33512 |
6.4 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
0.5 |
0.694 |
1 |
0 |
0 |
0.000 |
20 |
36 |
|
E |
6 |
3 |
8083 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
33682 |
56.4 |
-0.3 |
0.510 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
C |
10 |
5 |
33394 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
4 |
33512 |
55.8 |
-0.5 |
0.550 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
D |
4 |
2 |
33548 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
33682 |
43.7 |
-1.0 |
0.266 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
E |
3 |
2 |
8083 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
33512 |
43.1 |
0.3 |
0.721 |
1 |
0 |
0 |
0.000 |
24 |
40 |
|
A |
4 |
1 |
33682 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
1 |
8020 |
40.1 |
0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
25 |
41 |
|
D |
5 |
3 |
33548 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
4 |
33394 |
37.0 |
0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
D |
5 |
2 |
33548 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
33682 |
36.1 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
B |
4 |
1 |
33512 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
33682 |
35.6 |
0.1 |
0.688 |
0 |
1 |
0 |
0.000 |
28 |
44 |
|
H |
7 |
3 |
8091 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
3 |
8020 |
33.6 |
0.9 |
0.801 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
B |
6 |
4 |
33512 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
33682 |
31.2 |
-0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
H |
9 |
4 |
8091 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
33682 |
28.3 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
D |
3 |
1 |
33548 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
8020 |
21.0 |
0.8 |
0.765 |
1 |
0 |
0 |
0.000 |
32 |
48 |
|
[5AD]C:1500 |
2 |
1 |
406 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8020 |
19.4 |
0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
49 |
|
[5AD]B:1500 |
2 |
1 |
405 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8025 |
15.7 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
Average: |
17.6 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
33 |
50 |
|
[5AD]A:1500 |
3 |
1 |
393 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
33394 |
18.9 |
1.2 |
0.614 |
0 |
0 |
0 |
0.000 |
51 |
|
[5AD]D:1500 |
2 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
33512 |
16.8 |
1.1 |
0.708 |
0 |
0 |
0 |
0.000 |
52 |
|
[5AD]B:1500 |
3 |
1 |
405 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
33548 |
15.9 |
1.1 |
0.643 |
0 |
0 |
0 |
0.000 |
53 |
|
[5AD]C:1500 |
2 |
1 |
406 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
33682 |
13.2 |
0.9 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
16.2 |
1.1 |
0.670 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[5AD]A:1500 |
2 |
1 |
393 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8083 |
15.1 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
55 |
|
[5AD]D:1500 |
2 |
1 |
403 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8091 |
14.0 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
D |
1 |
1 |
33548 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
33682 |
14.5 |
0.3 |
0.877 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
C |
3 |
3 |
33394 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
3 |
8083 |
14.2 |
-0.4 |
0.467 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
F |
1 |
1 |
8025 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
33394 |
8.6 |
0.5 |
0.890 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
E |
1 |
1 |
8083 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
8020 |
5.0 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
39 |
60 |
|
C |
1 |
1 |
33394 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
8025 |
1.5 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|