| ## |
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 |
148 |
39 |
6838 |
◊ |
C |
x,y,z |
1_555 |
145 |
39 |
6711 |
1494.0 |
-28.3 |
0.016 |
15 |
8 |
0 |
0.271 |
2 |
|
B |
144 |
37 |
6663 |
◊ |
A |
x,y,z |
1_555 |
144 |
38 |
6592 |
1485.8 |
-27.2 |
0.024 |
17 |
8 |
0 |
0.271 |
| Average: |
1489.9 |
-27.7 |
0.020 |
16 |
8 |
0 |
0.271 |
| 2 |
3 |
|
C |
49 |
12 |
6711 |
◊ |
B |
x,y,z |
1_555 |
51 |
13 |
6663 |
411.8 |
-0.9 |
0.682 |
6 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
32 |
11 |
6663 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
13 |
6838 |
349.3 |
-4.9 |
0.320 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
29 |
8 |
6592 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
36 |
10 |
6663 |
294.1 |
-0.7 |
0.672 |
2 |
5 |
0 |
0.000 |
| 5 |
6 |
|
A |
33 |
8 |
6592 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
28 |
8 |
6838 |
263.3 |
-1.2 |
0.603 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
23 |
9 |
6711 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
26 |
9 |
6838 |
237.5 |
-0.8 |
0.632 |
2 |
1 |
0 |
0.000 |
| 7 |
8 |
|
C |
22 |
6 |
6711 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
6592 |
194.9 |
1.3 |
0.807 |
3 |
0 |
0 |
0.000 |
9 |
|
D |
19 |
5 |
6838 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
6663 |
187.2 |
1.0 |
0.780 |
3 |
0 |
0 |
0.000 |
| Average: |
191.0 |
1.1 |
0.794 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
24 |
8 |
6711 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
8 |
6663 |
190.8 |
-0.4 |
0.665 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
21 |
6 |
6711 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
18 |
7 |
6592 |
174.0 |
-3.0 |
0.334 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
13 |
3 |
6663 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
6838 |
107.3 |
-1.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
D |
9 |
3 |
6838 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6592 |
97.8 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
11 |
3 |
6592 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
4 |
6838 |
93.7 |
0.4 |
0.708 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
D |
7 |
2 |
6838 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
6838 |
88.6 |
-0.4 |
0.585 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
A |
8 |
3 |
6592 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
4 |
6711 |
79.8 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[CIT]C:1092 |
6 |
1 |
315 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
6838 |
77.9 |
-1.0 |
0.279 |
1 |
0 |
0 |
0.011 |
| 16 |
18 |
|
[CIT]C:1092 |
6 |
1 |
315 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
6711 |
75.4 |
-0.1 |
0.401 |
1 |
0 |
0 |
0.004 |
| 17 |
19 |
|
[NA]C:92 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
6663 |
69.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.184 |
20 |
|
[NA]B:92 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
6711 |
68.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.184 |
21 |
|
[NA]D:92 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
9 |
6838 |
68.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.184 |
22 |
|
[NA]A:92 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6592 |
68.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
68.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.184 |
| 18 |
23 |
|
A |
4 |
1 |
6592 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
9 |
3 |
6711 |
53.5 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[CIT]C:1092 |
5 |
1 |
315 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
6838 |
48.1 |
0.3 |
0.523 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
C |
8 |
3 |
6711 |
x |
C |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
6711 |
38.7 |
0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[ZN]C:95 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
6711 |
35.1 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.286 |
27 |
|
[ZN]B:95 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6663 |
35.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.286 |
28 |
|
[ZN]D:95 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
6838 |
34.1 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.286 |
29 |
|
[ZN]A:95 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6592 |
34.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.286 |
| Average: |
34.6 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.286 |
| 22 |
30 |
|
[ZN]C:95 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6838 |
33.9 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.259 |
31 |
|
[ZN]B:95 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6592 |
33.4 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.259 |
32 |
|
[ZN]D:95 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6711 |
32.9 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.259 |
33 |
|
[ZN]A:95 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6663 |
32.5 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
33.2 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.259 |
| 23 |
34 |
|
A |
2 |
1 |
6592 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
6592 |
27.3 |
-0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
B |
6 |
2 |
6663 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
6711 |
24.1 |
1.2 |
0.848 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[ZN]A:95 |
1 |
1 |
98 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
6838 |
10.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
2 |
1 |
6592 |
◊ |
[ZN]D:95 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
98 |
6.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
8.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
38 |
|
C |
2 |
1 |
6711 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
6838 |
6.0 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[ZN]B:95 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6711 |
5.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[ZN]C:95 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6663 |
5.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
5.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
C |
1 |
1 |
6711 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
6592 |
1.1 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[CIT]C:1092 |
1 |
1 |
315 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
6663 |
1.0 |
-0.0 |
0.306 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
D |
1 |
1 |
6838 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6592 |
0.3 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|