## |
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 |
176 |
51 |
13685 |
◊ |
C |
x,y,z |
1_555 |
182 |
51 |
13609 |
1671.4 |
-18.1 |
0.189 |
15 |
0 |
0 |
0.080 |
2 |
|
B |
173 |
50 |
13630 |
◊ |
A |
x,y,z |
1_555 |
172 |
49 |
13538 |
1665.7 |
-17.5 |
0.185 |
15 |
0 |
0 |
0.080 |
Average: |
1668.6 |
-17.8 |
0.187 |
15 |
0 |
0 |
0.080 |
2 |
3 |
|
C |
87 |
28 |
13609 |
◊ |
A |
x,y,z |
1_555 |
90 |
28 |
13538 |
881.3 |
-10.6 |
0.157 |
7 |
8 |
0 |
0.051 |
4 |
|
D |
85 |
27 |
13685 |
◊ |
B |
x,y,z |
1_555 |
86 |
27 |
13630 |
869.5 |
-11.2 |
0.128 |
7 |
8 |
0 |
0.051 |
Average: |
875.4 |
-10.9 |
0.142 |
7 |
8 |
0 |
0.051 |
3 |
5 |
|
A |
80 |
23 |
13538 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
76 |
22 |
13630 |
715.2 |
-2.0 |
0.499 |
12 |
3 |
0 |
0.000 |
4 |
6 |
|
C |
39 |
10 |
13609 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
13630 |
346.6 |
-4.4 |
0.272 |
2 |
0 |
0 |
0.015 |
7 |
|
D |
41 |
11 |
13685 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
13538 |
345.0 |
-4.0 |
0.324 |
2 |
0 |
0 |
0.015 |
Average: |
345.8 |
-4.2 |
0.298 |
2 |
0 |
0 |
0.015 |
5 |
8 |
|
[CF3]C:9652 |
21 |
1 |
537 |
f |
C |
x,y,z |
1_555 |
39 |
16 |
13609 |
297.9 |
5.1 |
0.056 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
[CF3]D:9752 |
21 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
41 |
17 |
13685 |
297.7 |
4.9 |
0.051 |
7 |
0 |
0 |
0.000 |
7 |
10 |
|
[CF3]B:9552 |
19 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
13630 |
290.6 |
4.7 |
0.073 |
7 |
0 |
0 |
0.000 |
11 |
|
[CF3]A:9452 |
19 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
13538 |
285.4 |
5.1 |
0.092 |
6 |
0 |
0 |
0.000 |
Average: |
288.0 |
4.9 |
0.082 |
7 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
28 |
9 |
13538 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
29 |
9 |
13630 |
245.3 |
0.1 |
0.614 |
1 |
1 |
0 |
0.000 |
13 |
|
D |
29 |
9 |
13685 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
27 |
9 |
13609 |
232.5 |
0.3 |
0.680 |
2 |
0 |
0 |
0.000 |
Average: |
238.9 |
0.2 |
0.647 |
2 |
1 |
0 |
0.000 |
9 |
14 |
|
A |
19 |
7 |
13538 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
7 |
13609 |
155.0 |
2.2 |
0.914 |
3 |
4 |
0 |
0.000 |
10 |
15 |
|
[K]D:9749 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
13685 |
117.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.714 |
16 |
|
[K]C:9649 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
13609 |
117.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.714 |
17 |
|
[K]A:9449 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
13538 |
116.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.714 |
18 |
|
[K]B:9549 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
13630 |
116.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.714 |
Average: |
117.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.714 |
11 |
19 |
|
[CF3]C:9652 |
10 |
1 |
537 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
13685 |
90.7 |
1.5 |
0.073 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[CF3]D:9752 |
10 |
1 |
540 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
13609 |
88.2 |
1.3 |
0.056 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[CF3]A:9452 |
11 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
13630 |
80.6 |
0.7 |
0.026 |
0 |
0 |
0 |
0.000 |
22 |
|
[CF3]B:9552 |
10 |
1 |
538 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
13538 |
77.6 |
0.7 |
0.038 |
0 |
0 |
0 |
0.000 |
Average: |
79.1 |
0.7 |
0.032 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
A |
9 |
3 |
13538 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
13685 |
72.6 |
-1.1 |
0.383 |
0 |
1 |
0 |
0.000 |
15 |
24 |
|
[ZN]B:9551 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
13630 |
37.0 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.171 |
25 |
|
[ZN]D:9751 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
7 |
13685 |
36.9 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.171 |
26 |
|
[ZN]C:9651 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
7 |
13609 |
36.9 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.171 |
27 |
|
[ZN]A:9451 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
13538 |
36.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
36.8 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.171 |
16 |
28 |
|
[CF3]A:9452 |
4 |
1 |
536 |
cf |
[ZN]A:9451 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.079 |
29 |
|
[CF3]B:9552 |
5 |
1 |
538 |
f |
[ZN]B:9551 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
30.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.079 |
17 |
30 |
|
[CF3]C:9652 |
4 |
1 |
537 |
cf |
[ZN]C:9651 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.080 |
31 |
|
[CF3]D:9752 |
4 |
1 |
540 |
cf |
[ZN]D:9751 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
30.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.080 |
18 |
32 |
|
B |
1 |
1 |
13630 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13609 |
0.3 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
|