## |
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 |
|
B |
417 |
116 |
18564 |
◊ |
A |
x,y,z |
1_555 |
409 |
116 |
19548 |
3894.7 |
-54.9 |
0.031 |
63 |
8 |
0 |
0.699 |
2 |
|
D |
407 |
113 |
18518 |
◊ |
C |
x,y,z |
1_555 |
407 |
115 |
19324 |
3846.5 |
-54.4 |
0.026 |
66 |
8 |
0 |
0.699 |
Average: |
3870.6 |
-54.7 |
0.029 |
65 |
8 |
0 |
0.699 |
2 |
3 |
|
C |
126 |
39 |
19324 |
◊ |
B |
x,y,z |
1_555 |
126 |
38 |
18564 |
1224.7 |
-15.3 |
0.162 |
21 |
9 |
0 |
0.447 |
4 |
|
D |
122 |
38 |
18518 |
◊ |
A |
x,y,z |
1_555 |
125 |
38 |
19548 |
1209.3 |
-15.6 |
0.147 |
19 |
10 |
0 |
0.447 |
Average: |
1217.0 |
-15.5 |
0.155 |
20 |
10 |
0 |
0.447 |
3 |
5 |
|
D |
62 |
23 |
18518 |
◊ |
B |
x,y,z |
1_555 |
65 |
23 |
18564 |
639.3 |
-12.2 |
0.050 |
3 |
0 |
0 |
0.083 |
6 |
|
C |
59 |
22 |
19324 |
◊ |
A |
x,y,z |
1_555 |
62 |
23 |
19548 |
613.7 |
-12.3 |
0.038 |
3 |
0 |
0 |
0.083 |
Average: |
626.5 |
-12.2 |
0.044 |
3 |
0 |
0 |
0.083 |
4 |
7 |
|
[ADP]C:104 |
25 |
1 |
554 |
f |
C |
x,y,z |
1_555 |
43 |
19 |
19324 |
341.5 |
-5.9 |
0.476 |
8 |
0 |
0 |
0.298 |
8 |
|
[ADP]B:105 |
25 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
18564 |
328.0 |
-5.8 |
0.498 |
9 |
0 |
0 |
0.298 |
Average: |
334.7 |
-5.8 |
0.487 |
9 |
0 |
0 |
0.298 |
5 |
9 |
|
[116]C:4 |
29 |
1 |
691 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
18518 |
329.2 |
-7.7 |
0.509 |
3 |
0 |
0 |
0.308 |
10 |
|
[116]A:2 |
28 |
1 |
690 |
f |
B |
x,y,z |
1_555 |
38 |
15 |
18564 |
328.9 |
-7.3 |
0.552 |
3 |
0 |
0 |
0.308 |
11 |
|
[116]B:1 |
29 |
1 |
697 |
f |
A |
x,y,z |
1_555 |
38 |
15 |
19548 |
328.0 |
-7.3 |
0.567 |
3 |
0 |
0 |
0.308 |
12 |
|
[116]D:3 |
29 |
1 |
682 |
f |
C |
x,y,z |
1_555 |
36 |
15 |
19324 |
317.9 |
-6.9 |
0.542 |
3 |
0 |
0 |
0.308 |
Average: |
326.0 |
-7.3 |
0.543 |
3 |
0 |
0 |
0.308 |
6 |
13 |
|
[ADP]D:106 |
25 |
1 |
557 |
f |
D |
x,y,z |
1_555 |
41 |
18 |
18518 |
328.5 |
-5.5 |
0.547 |
8 |
0 |
0 |
0.158 |
7 |
14 |
|
D |
30 |
9 |
18518 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
34 |
12 |
18564 |
311.7 |
0.5 |
0.750 |
8 |
2 |
0 |
0.000 |
8 |
15 |
|
[116]B:1 |
17 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
18564 |
213.9 |
-0.6 |
0.844 |
8 |
0 |
0 |
0.066 |
16 |
|
[116]A:2 |
17 |
1 |
690 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
19548 |
211.8 |
-0.6 |
0.834 |
7 |
0 |
0 |
0.066 |
17 |
|
[116]D:3 |
16 |
1 |
682 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
18518 |
209.5 |
-0.3 |
0.835 |
7 |
0 |
0 |
0.066 |
18 |
|
[116]C:4 |
16 |
1 |
691 |
◊ |
C |
x,y,z |
1_555 |
26 |
11 |
19324 |
202.8 |
-0.6 |
0.823 |
6 |
0 |
0 |
0.066 |
Average: |
209.5 |
-0.5 |
0.834 |
7 |
0 |
0 |
0.066 |
9 |
19 |
|
[ADP]A:102 |
21 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
19548 |
197.4 |
-1.7 |
0.666 |
1 |
0 |
0 |
0.038 |
20 |
|
[ADP]A:101 |
21 |
1 |
541 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
18564 |
188.1 |
-1.5 |
0.687 |
2 |
0 |
0 |
0.038 |
Average: |
192.7 |
-1.6 |
0.677 |
2 |
0 |
0 |
0.038 |
10 |
21 |
|
[ADP]C:103 |
20 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
18518 |
196.5 |
-1.9 |
0.671 |
2 |
0 |
0 |
0.049 |
11 |
22 |
|
B |
25 |
7 |
18564 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
5 |
18518 |
183.5 |
0.7 |
0.786 |
2 |
1 |
0 |
0.000 |
12 |
23 |
|
[ADP]C:103 |
13 |
1 |
540 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
19324 |
135.5 |
1.4 |
0.675 |
1 |
0 |
0 |
0.000 |
24 |
|
[ADP]A:102 |
14 |
1 |
550 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
18564 |
129.3 |
1.9 |
0.666 |
1 |
0 |
0 |
0.000 |
25 |
|
[ADP]A:101 |
14 |
1 |
541 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19548 |
129.1 |
1.9 |
0.620 |
0 |
0 |
0 |
0.000 |
Average: |
131.3 |
1.7 |
0.654 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
D |
17 |
3 |
18518 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
18564 |
112.3 |
-1.1 |
0.336 |
1 |
0 |
0 |
0.000 |
14 |
27 |
|
A |
8 |
2 |
19548 |
◊ |
D |
x-1,y,z-1 |
1_454 |
11 |
3 |
18518 |
63.6 |
0.9 |
0.809 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
C |
5 |
3 |
19324 |
x |
C |
x-1,y,z-1 |
1_454 |
10 |
5 |
19324 |
48.3 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
D |
6 |
2 |
18518 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
2 |
19548 |
39.2 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
C |
6 |
2 |
19324 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
19548 |
35.8 |
1.2 |
0.829 |
2 |
2 |
0 |
0.000 |
18 |
31 |
|
C |
2 |
1 |
19324 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
18564 |
24.8 |
0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[ADP]A:102 |
7 |
1 |
550 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
1 |
18518 |
24.0 |
-1.2 |
0.390 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
D |
4 |
2 |
18518 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
19324 |
16.0 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
B |
3 |
2 |
18564 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
2 |
19548 |
12.5 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
B |
1 |
1 |
18564 |
◊ |
C |
x-1,y,z-1 |
1_454 |
3 |
1 |
19324 |
7.8 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
C |
1 |
1 |
19324 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
19324 |
5.6 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
|