## |
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 |
|
E |
96 |
21 |
4852 |
◊ |
D |
x,y,z |
1_555 |
92 |
21 |
4890 |
928.0 |
-10.2 |
0.758 |
29 |
0 |
0 |
1.000 |
2 |
|
G |
98 |
21 |
4959 |
◊ |
F |
x,y,z |
1_555 |
95 |
21 |
4974 |
927.2 |
-8.8 |
0.794 |
25 |
0 |
0 |
1.000 |
Average: |
927.6 |
-9.5 |
0.776 |
27 |
0 |
0 |
1.000 |
2 |
3 |
|
B |
71 |
22 |
9059 |
◊ |
C |
x-1,y,z+1 |
1_456 |
68 |
20 |
9689 |
667.0 |
-8.9 |
0.222 |
0 |
0 |
0 |
0.009 |
3 |
4 |
|
C |
49 |
12 |
9689 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
9778 |
472.7 |
-4.4 |
0.406 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
E |
55 |
12 |
4852 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
9059 |
471.7 |
-3.3 |
0.757 |
3 |
0 |
0 |
0.128 |
5 |
6 |
|
D |
54 |
8 |
4890 |
◊ |
A |
x,y,z |
1_555 |
42 |
16 |
9778 |
466.9 |
-4.5 |
0.515 |
2 |
0 |
0 |
0.148 |
7 |
|
F |
54 |
8 |
4974 |
◊ |
C |
x,y,z |
1_555 |
39 |
13 |
9689 |
449.1 |
-5.0 |
0.407 |
2 |
0 |
0 |
0.148 |
Average: |
458.0 |
-4.8 |
0.461 |
2 |
0 |
0 |
0.148 |
6 |
8 |
|
G |
53 |
11 |
4959 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
9689 |
452.7 |
-5.8 |
0.653 |
3 |
0 |
0 |
0.261 |
9 |
|
E |
51 |
11 |
4852 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
9778 |
449.9 |
-8.2 |
0.513 |
3 |
0 |
0 |
0.261 |
Average: |
451.3 |
-7.0 |
0.583 |
3 |
0 |
0 |
0.261 |
7 |
10 |
|
D |
49 |
7 |
4890 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
9059 |
438.9 |
-3.9 |
0.575 |
2 |
0 |
0 |
0.132 |
8 |
11 |
|
A |
31 |
13 |
9778 |
◊ |
B |
x,y,z-1 |
1_554 |
46 |
16 |
9059 |
334.2 |
-2.7 |
0.229 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
39 |
10 |
9059 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
31 |
10 |
9778 |
292.6 |
-0.4 |
0.653 |
0 |
2 |
0 |
0.000 |
10 |
13 |
|
G |
26 |
3 |
4959 |
◊ |
B |
-x,-y,z-1 |
2_554 |
29 |
9 |
9059 |
229.1 |
-0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
F |
20 |
5 |
4974 |
◊ |
B |
-x,-y,z-1 |
2_554 |
21 |
6 |
9059 |
157.8 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
21 |
8 |
9059 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
9778 |
156.4 |
2.2 |
0.805 |
1 |
2 |
0 |
0.000 |
13 |
16 |
|
[EDO]B:201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
9059 |
123.5 |
3.0 |
0.478 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
G |
17 |
1 |
4959 |
◊ |
C |
-x+1,-y,z |
2_655 |
8 |
4 |
9689 |
120.0 |
-1.3 |
0.142 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
D |
15 |
1 |
4890 |
x |
D |
x-1,y,z |
1_455 |
14 |
1 |
4890 |
117.3 |
1.9 |
0.778 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
F |
19 |
2 |
4974 |
◊ |
C |
-x+1,-y,z |
2_655 |
8 |
3 |
9689 |
108.8 |
-2.5 |
0.272 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
E |
14 |
1 |
4852 |
x |
E |
x-1,y,z |
1_455 |
11 |
1 |
4852 |
104.6 |
2.7 |
0.879 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]A:202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9778 |
96.8 |
2.0 |
0.262 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
E |
14 |
3 |
4852 |
◊ |
C |
x-1,y,z+1 |
1_456 |
8 |
5 |
9689 |
84.0 |
-0.8 |
0.654 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:201 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
9059 |
81.5 |
1.8 |
0.275 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
9 |
3 |
4890 |
◊ |
C |
x-1,y,z+1 |
1_456 |
7 |
3 |
9689 |
76.7 |
-2.1 |
0.429 |
0 |
0 |
0 |
0.002 |
22 |
25 |
|
[EDO]A:201 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
9778 |
62.8 |
2.5 |
0.926 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
9689 |
62.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.221 |
27 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
9059 |
58.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
60.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.221 |
24 |
28 |
|
C |
7 |
1 |
9689 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
2 |
4890 |
60.6 |
-0.7 |
0.470 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
7 |
2 |
9689 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
1 |
9778 |
60.3 |
0.4 |
0.608 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
D |
4 |
1 |
4890 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
2 |
9689 |
43.7 |
-0.6 |
0.511 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
F |
9 |
1 |
4974 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
9059 |
41.5 |
1.1 |
0.739 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
E |
5 |
1 |
4852 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
1 |
4890 |
39.2 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
D |
5 |
1 |
4890 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
1 |
4852 |
29.1 |
-1.0 |
0.483 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
D |
4 |
1 |
4890 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9689 |
28.8 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
F |
2 |
1 |
4974 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9778 |
20.6 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
G |
5 |
1 |
4959 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
9059 |
19.9 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9778 |
18.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]B:201 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
4852 |
4.9 |
-0.1 |
0.439 |
0 |
0 |
0 |
0.100 |
35 |
39 |
|
G |
1 |
1 |
4959 |
◊ |
G |
-x,-y,z |
2_555 |
1 |
1 |
4959 |
4.5 |
-0.5 |
0.192 |
0 |
0 |
0 |
0.000 |
|