| ## |
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 |
|
C |
178 |
48 |
15300 |
◊ |
B |
x,y-1,z |
1_545 |
173 |
47 |
15260 |
1607.7 |
-23.6 |
0.038 |
15 |
0 |
0 |
0.230 |
2 |
|
D |
176 |
48 |
15283 |
◊ |
A |
x,y,z |
1_555 |
175 |
47 |
15327 |
1604.0 |
-23.2 |
0.041 |
16 |
0 |
0 |
0.230 |
| Average: |
1605.8 |
-23.4 |
0.039 |
16 |
0 |
0 |
0.230 |
| 2 |
3 |
|
[NAD]B:377 |
41 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
76 |
36 |
15260 |
597.0 |
-7.1 |
0.500 |
14 |
0 |
0 |
0.205 |
4 |
|
[NAD]C:377 |
42 |
1 |
866 |
f |
C |
x,y,z |
1_555 |
70 |
35 |
15300 |
595.3 |
-7.2 |
0.484 |
15 |
0 |
0 |
0.205 |
5 |
|
[NAD]A:377 |
43 |
1 |
864 |
f |
A |
x,y,z |
1_555 |
72 |
35 |
15327 |
594.6 |
-7.0 |
0.491 |
13 |
0 |
0 |
0.205 |
6 |
|
[NAD]D:377 |
42 |
1 |
867 |
f |
D |
x,y,z |
1_555 |
71 |
35 |
15283 |
594.1 |
-6.9 |
0.489 |
16 |
0 |
0 |
0.205 |
| Average: |
595.3 |
-7.0 |
0.491 |
15 |
0 |
0 |
0.205 |
| 3 |
7 |
|
D |
44 |
13 |
15283 |
◊ |
B |
x-1,y-1,z |
1_445 |
47 |
14 |
15260 |
390.5 |
1.5 |
0.834 |
5 |
2 |
0 |
0.000 |
8 |
|
A |
35 |
10 |
15327 |
◊ |
C |
x,y,z-1 |
1_554 |
36 |
9 |
15300 |
324.9 |
-0.6 |
0.668 |
2 |
3 |
0 |
0.000 |
| Average: |
357.7 |
0.5 |
0.751 |
4 |
3 |
0 |
0.000 |
| 4 |
9 |
|
C |
19 |
5 |
15300 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
26 |
8 |
15260 |
193.2 |
-2.0 |
0.416 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
19 |
6 |
15327 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
15283 |
150.7 |
-1.6 |
0.420 |
1 |
1 |
0 |
0.000 |
| Average: |
171.9 |
-1.8 |
0.418 |
1 |
1 |
0 |
0.000 |
| 5 |
11 |
|
D |
18 |
6 |
15283 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
15300 |
161.0 |
0.4 |
0.729 |
1 |
0 |
0 |
0.000 |
| 6 |
12 |
|
D |
17 |
8 |
15283 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
5 |
15300 |
152.6 |
0.6 |
0.733 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
A |
18 |
9 |
15327 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
6 |
15260 |
150.9 |
0.9 |
0.733 |
3 |
4 |
0 |
0.000 |
| 8 |
14 |
|
D |
22 |
8 |
15283 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
15260 |
147.3 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
17 |
5 |
15327 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
7 |
15300 |
136.9 |
-1.7 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
142.1 |
-1.1 |
0.493 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[FPI]A:378 |
8 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
15327 |
140.8 |
2.8 |
0.162 |
4 |
0 |
0 |
0.000 |
17 |
|
[FPI]B:378 |
8 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
15260 |
140.3 |
2.7 |
0.137 |
4 |
0 |
0 |
0.000 |
18 |
|
[FPI]C:378 |
8 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
15300 |
137.5 |
2.7 |
0.166 |
4 |
0 |
0 |
0.000 |
| Average: |
139.5 |
2.7 |
0.155 |
4 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
16 |
5 |
15327 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
20 |
8 |
15260 |
139.2 |
0.8 |
0.709 |
1 |
1 |
0 |
0.000 |
| 11 |
20 |
|
[FPI]D:378 |
8 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
15283 |
137.8 |
2.7 |
0.156 |
4 |
0 |
0 |
0.000 |
| 12 |
21 |
|
A |
14 |
4 |
15327 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
5 |
15300 |
93.3 |
-0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
12 |
4 |
15283 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
3 |
15260 |
80.5 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
| Average: |
86.9 |
-0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
C |
6 |
2 |
15300 |
◊ |
B |
x-1,y-1,z |
1_445 |
9 |
4 |
15260 |
65.9 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
1 |
1 |
15283 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
15327 |
5.0 |
0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| Average: |
35.5 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[FPI]A:378 |
5 |
1 |
267 |
f |
[NAD]A:377 |
x,y,z |
1_555 |
12 |
1 |
864 |
56.0 |
0.5 |
0.070 |
0 |
0 |
0 |
0.000 |
26 |
|
[FPI]B:378 |
6 |
1 |
266 |
f |
[NAD]B:377 |
x,y,z |
1_555 |
9 |
1 |
865 |
56.0 |
0.5 |
0.026 |
0 |
0 |
0 |
0.000 |
27 |
|
[FPI]D:378 |
6 |
1 |
265 |
f |
[NAD]D:377 |
x,y,z |
1_555 |
10 |
1 |
867 |
55.6 |
0.7 |
0.027 |
0 |
0 |
0 |
0.000 |
28 |
|
[FPI]C:378 |
5 |
1 |
263 |
f |
[NAD]C:377 |
x,y,z |
1_555 |
10 |
1 |
866 |
55.4 |
0.6 |
0.060 |
0 |
0 |
0 |
0.000 |
| Average: |
55.7 |
0.6 |
0.046 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
D |
6 |
2 |
15283 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
15260 |
53.5 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[ZN]D:375 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
15283 |
31.0 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.366 |
31 |
|
[ZN]C:375 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
15300 |
31.0 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.366 |
32 |
|
[ZN]B:375 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
15260 |
30.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.366 |
33 |
|
[ZN]A:375 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
15327 |
30.8 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.366 |
| Average: |
30.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.366 |
| 17 |
34 |
|
[NAD]D:377 |
3 |
1 |
867 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
15327 |
29.6 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.001 |
35 |
|
[NAD]C:377 |
3 |
1 |
866 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
15260 |
26.8 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.001 |
36 |
|
C |
4 |
1 |
15300 |
◊ |
[NAD]B:377 |
x,y-1,z |
1_545 |
3 |
1 |
865 |
26.3 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.001 |
37 |
|
[NAD]A:377 |
3 |
1 |
864 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15283 |
25.9 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.001 |
| Average: |
27.1 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.001 |
| 18 |
38 |
|
A |
3 |
1 |
15327 |
◊ |
C |
x-1,y,z-1 |
1_454 |
5 |
2 |
15300 |
28.5 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
| 19 |
39 |
|
[FPI]D:378 |
2 |
1 |
265 |
cf |
[ZN]D:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.122 |
40 |
|
[FPI]C:378 |
2 |
1 |
263 |
f |
[ZN]C:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.122 |
41 |
|
[FPI]B:378 |
2 |
1 |
266 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.122 |
42 |
|
[FPI]A:378 |
2 |
1 |
267 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
20.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.122 |
| 20 |
43 |
|
[FPI]A:378 |
2 |
1 |
267 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
15283 |
20.8 |
0.3 |
0.160 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
2 |
2 |
15300 |
◊ |
[FPI]B:378 |
x,y-1,z |
1_545 |
2 |
1 |
266 |
20.7 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
45 |
|
[FPI]C:378 |
2 |
1 |
263 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
15260 |
19.4 |
0.3 |
0.130 |
0 |
0 |
0 |
0.000 |
46 |
|
[FPI]D:378 |
2 |
1 |
265 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15327 |
19.0 |
0.3 |
0.131 |
0 |
0 |
0 |
0.000 |
| Average: |
20.0 |
0.3 |
0.155 |
0 |
0 |
0 |
0.000 |
| 21 |
47 |
|
[NAD]A:377 |
3 |
1 |
864 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.109 |
48 |
|
[NAD]B:377 |
3 |
1 |
865 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.109 |
49 |
|
[NAD]C:377 |
3 |
1 |
866 |
f |
[ZN]C:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.109 |
50 |
|
[NAD]D:377 |
3 |
1 |
867 |
f |
[ZN]D:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
19.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.109 |
|