## |
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 |
159 |
41 |
12423 |
◊ |
A |
x,y,z |
1_555 |
173 |
44 |
14215 |
1564.8 |
-16.4 |
0.202 |
13 |
4 |
0 |
1.000 |
2 |
|
D |
151 |
38 |
12461 |
◊ |
C |
x,y,z |
1_555 |
172 |
44 |
14237 |
1524.6 |
-12.0 |
0.318 |
22 |
5 |
0 |
1.000 |
Average: |
1544.7 |
-14.2 |
0.260 |
18 |
5 |
0 |
1.000 |
2 |
3 |
|
F |
47 |
8 |
1102 |
◊ |
B |
x,y,z |
1_555 |
74 |
16 |
12423 |
526.3 |
-4.6 |
0.666 |
6 |
5 |
0 |
1.000 |
3 |
4 |
|
H |
46 |
8 |
1073 |
◊ |
D |
x,y,z |
1_555 |
71 |
17 |
12461 |
497.0 |
-5.6 |
0.610 |
6 |
3 |
0 |
1.000 |
4 |
5 |
|
B |
52 |
14 |
12423 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
57 |
15 |
14237 |
466.8 |
-1.1 |
0.666 |
10 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
51 |
14 |
12423 |
◊ |
C |
x,y,z |
1_555 |
44 |
15 |
14237 |
428.9 |
-1.5 |
0.619 |
3 |
1 |
0 |
0.000 |
7 |
|
D |
50 |
15 |
12461 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
14215 |
425.1 |
-2.3 |
0.531 |
5 |
1 |
0 |
0.000 |
Average: |
427.0 |
-1.9 |
0.575 |
4 |
1 |
0 |
0.000 |
6 |
8 |
|
[CK4]A:1297 |
24 |
1 |
532 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
14215 |
382.7 |
2.9 |
0.486 |
5 |
0 |
0 |
0.000 |
9 |
|
[CK4]C:1297 |
24 |
1 |
530 |
f |
C |
x,y,z |
1_555 |
56 |
21 |
14237 |
378.5 |
3.1 |
0.500 |
4 |
0 |
0 |
0.000 |
Average: |
380.6 |
3.0 |
0.493 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
52 |
19 |
14215 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
48 |
20 |
12423 |
373.8 |
-1.1 |
0.589 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
33 |
11 |
14215 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
33 |
13 |
12461 |
296.4 |
-3.0 |
0.283 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
24 |
10 |
14215 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
9 |
14237 |
265.8 |
-1.3 |
0.453 |
4 |
1 |
0 |
0.000 |
10 |
13 |
|
A |
23 |
9 |
14215 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
1102 |
181.1 |
-1.2 |
0.669 |
1 |
1 |
0 |
0.000 |
11 |
14 |
|
A |
19 |
11 |
14215 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
7 |
14237 |
175.6 |
0.1 |
0.684 |
0 |
2 |
0 |
0.000 |
12 |
15 |
|
A |
11 |
4 |
14215 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
14237 |
143.5 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
12 |
6 |
12461 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
3 |
14237 |
99.1 |
0.7 |
0.734 |
3 |
1 |
0 |
0.000 |
14 |
17 |
|
C |
11 |
2 |
14237 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
14215 |
97.8 |
-1.3 |
0.378 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
D |
13 |
5 |
12461 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
12461 |
81.8 |
1.7 |
0.818 |
3 |
0 |
0 |
0.000 |
16 |
19 |
|
[NH2]F:509 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
1102 |
57.0 |
0.5 |
0.775 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH2]H:509 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
5 |
2 |
1073 |
51.4 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
Average: |
54.2 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
A |
7 |
5 |
14215 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
7 |
12423 |
51.2 |
-0.5 |
0.534 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
A |
3 |
1 |
14215 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
1 |
12461 |
44.8 |
-1.1 |
0.186 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[NH2]H:509 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12461 |
39.2 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]F:509 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12423 |
11.7 |
0.1 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
25.5 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
5 |
1 |
12423 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
12423 |
24.1 |
0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
D |
3 |
2 |
12461 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
3 |
2 |
14237 |
14.3 |
0.3 |
0.779 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
4 |
2 |
12423 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
12461 |
9.0 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
H |
1 |
1 |
1073 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
14237 |
4.5 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
|