## |
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 |
85 |
21 |
9411 |
◊ |
A |
x-1,y,z-1 |
1_454 |
80 |
18 |
9723 |
732.8 |
-12.8 |
0.127 |
10 |
0 |
0 |
0.196 |
2 |
2 |
|
C |
72 |
20 |
8915 |
◊ |
A |
x,y,z |
1_555 |
71 |
20 |
9723 |
690.2 |
-10.5 |
0.161 |
3 |
0 |
0 |
0.175 |
3 |
|
D |
74 |
21 |
8748 |
◊ |
B |
x,y,z |
1_555 |
68 |
20 |
9411 |
688.1 |
-10.1 |
0.173 |
3 |
0 |
0 |
0.175 |
Average: |
689.2 |
-10.3 |
0.167 |
3 |
0 |
0 |
0.175 |
3 |
4 |
|
C |
59 |
19 |
8915 |
◊ |
B |
x,y,z |
1_555 |
59 |
19 |
9411 |
641.3 |
-5.5 |
0.401 |
8 |
15 |
0 |
0.136 |
5 |
|
D |
60 |
19 |
8748 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
9723 |
636.9 |
-5.3 |
0.462 |
8 |
15 |
0 |
0.136 |
Average: |
639.1 |
-5.4 |
0.431 |
8 |
15 |
0 |
0.136 |
4 |
6 |
|
A |
26 |
9 |
9723 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
26 |
10 |
9723 |
212.0 |
-1.7 |
0.565 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
18 |
7 |
9411 |
x |
B |
-x-2,y-1/2,-z-1 |
2_344 |
16 |
6 |
9411 |
173.6 |
-1.4 |
0.492 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
21 |
5 |
9723 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
17 |
6 |
8915 |
151.3 |
-1.7 |
0.460 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
20 |
5 |
9411 |
◊ |
D |
-x-2,y-1/2,-z-1 |
2_344 |
11 |
5 |
8748 |
139.9 |
-2.9 |
0.226 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
13 |
6 |
9411 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
5 |
8748 |
110.2 |
-1.3 |
0.437 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
12 |
5 |
8915 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
6 |
9723 |
109.2 |
-1.3 |
0.422 |
0 |
0 |
0 |
0.000 |
Average: |
109.7 |
-1.3 |
0.429 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
12 |
5 |
8915 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
4 |
8915 |
98.7 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9411 |
78.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.120 |
11 |
14 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8748 |
70.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.125 |
15 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8915 |
65.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
68.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.125 |
12 |
16 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9411 |
70.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.219 |
17 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
8915 |
66.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.219 |
18 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8748 |
60.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
65.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.219 |
13 |
19 |
|
B |
12 |
5 |
9411 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
9723 |
69.7 |
-1.7 |
0.168 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8748 |
66.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.123 |
15 |
21 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9411 |
65.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
22 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
8748 |
63.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.263 |
23 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9723 |
62.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.263 |
24 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
8915 |
62.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
63.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.263 |
16 |
25 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9723 |
62.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.121 |
17 |
26 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9411 |
57.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.092 |
18 |
27 |
|
D |
4 |
3 |
8748 |
x |
D |
-x-2,y-1/2,-z |
2_345 |
7 |
3 |
8748 |
55.5 |
-0.2 |
0.484 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9411 |
53.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.085 |
20 |
29 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8748 |
42.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.049 |
21 |
30 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
8748 |
39.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.053 |
22 |
31 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9723 |
39.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.068 |
23 |
32 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
[CL]C:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
24 |
33 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
[CL]D:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
25 |
34 |
|
C |
3 |
1 |
8915 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
8748 |
28.1 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
B |
4 |
2 |
9411 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
9723 |
27.4 |
-0.3 |
0.527 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[CL]B:305 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8915 |
23.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
37 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
9411 |
17.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.017 |
29 |
38 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
[CL]B:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
30 |
39 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9723 |
6.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
40 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9411 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
41 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8748 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8915 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
31 |
43 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9723 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
44 |
|
[CL]C:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9411 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
32 |
45 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
8915 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|