| ## |
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 |
145 |
40 |
10143 |
◊ |
B |
-y,-x,-z+1/6 |
10_555 |
139 |
38 |
10143 |
1424.4 |
-24.7 |
0.026 |
15 |
6 |
0 |
0.345 |
2 |
|
E |
140 |
40 |
9953 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
140 |
38 |
10186 |
1407.7 |
-20.6 |
0.093 |
15 |
6 |
0 |
0.345 |
| Average: |
1416.1 |
-22.7 |
0.059 |
15 |
6 |
0 |
0.345 |
| 2 |
3 |
|
C |
103 |
29 |
6923 |
◊ |
D |
x,y,z |
1_555 |
109 |
28 |
10143 |
1011.4 |
-4.3 |
0.585 |
15 |
8 |
0 |
0.150 |
| 3 |
4 |
|
C |
103 |
26 |
6923 |
◊ |
B |
x,y,z |
1_555 |
108 |
31 |
10143 |
999.4 |
-5.3 |
0.573 |
14 |
15 |
0 |
0.149 |
| 4 |
5 |
|
E |
101 |
28 |
9953 |
◊ |
A |
x,y,z |
1_555 |
100 |
26 |
10186 |
949.1 |
-3.5 |
0.675 |
12 |
14 |
0 |
0.136 |
| 5 |
6 |
|
E |
85 |
21 |
9953 |
◊ |
D |
x,y,z |
1_555 |
100 |
24 |
10143 |
879.7 |
-4.7 |
0.634 |
13 |
7 |
0 |
0.177 |
7 |
|
B |
89 |
24 |
10143 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
10186 |
873.7 |
-6.1 |
0.558 |
14 |
7 |
0 |
0.177 |
| Average: |
876.7 |
-5.4 |
0.596 |
14 |
7 |
0 |
0.177 |
| 6 |
8 |
|
A |
35 |
11 |
10186 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
35 |
11 |
10186 |
343.3 |
-0.1 |
0.719 |
4 |
4 |
0 |
0.011 |
| 7 |
9 |
|
D |
40 |
10 |
10143 |
◊ |
A |
x-y+1,x+1,z-1/6 |
6_664 |
39 |
10 |
10186 |
338.6 |
-1.6 |
0.597 |
7 |
0 |
0 |
0.024 |
| 8 |
10 |
|
B |
25 |
7 |
10143 |
◊ |
A |
-x-1,-x+y-1,-z+1/3 |
9_445 |
29 |
9 |
10186 |
245.6 |
-3.8 |
0.285 |
2 |
0 |
0 |
0.044 |
11 |
|
E |
23 |
7 |
9953 |
◊ |
D |
x-y,-y+1,-z |
8_565 |
28 |
8 |
10143 |
238.3 |
-3.6 |
0.271 |
1 |
0 |
0 |
0.044 |
| Average: |
242.0 |
-3.7 |
0.278 |
2 |
0 |
0 |
0.044 |
| 9 |
12 |
|
D |
19 |
4 |
10143 |
◊ |
D |
x-y,-y,-z |
8_555 |
19 |
4 |
10143 |
153.7 |
1.0 |
0.788 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
C |
16 |
7 |
6923 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
16 |
7 |
6923 |
148.6 |
-6.2 |
0.028 |
0 |
0 |
0 |
0.018 |
| 11 |
14 |
|
[QBK]A:301 |
12 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
10143 |
141.1 |
-0.3 |
0.455 |
3 |
0 |
0 |
0.022 |
15 |
|
[QBK]E:302 |
12 |
1 |
306 |
f |
E |
x,y,z |
1_555 |
26 |
9 |
9953 |
138.2 |
0.0 |
0.474 |
3 |
0 |
0 |
0.022 |
| Average: |
139.6 |
-0.2 |
0.464 |
3 |
0 |
0 |
0.022 |
| 12 |
16 |
|
[QBK]A:301 |
12 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
10186 |
118.4 |
1.7 |
0.607 |
3 |
0 |
0 |
0.000 |
17 |
|
[QBK]E:302 |
12 |
1 |
306 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
10143 |
118.0 |
1.4 |
0.551 |
3 |
0 |
0 |
0.000 |
| Average: |
118.2 |
1.5 |
0.579 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
C |
12 |
4 |
6923 |
◊ |
D |
-y,-x,-z+1/6 |
10_555 |
11 |
3 |
10143 |
110.8 |
-0.8 |
0.494 |
1 |
0 |
0 |
0.008 |
| 14 |
19 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10186 |
55.3 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.792 |
20 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10143 |
52.6 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.792 |
21 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
10143 |
48.6 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.792 |
22 |
|
[ZN]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
9953 |
44.7 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.792 |
| Average: |
50.3 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.792 |
| 15 |
23 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
6923 |
48.6 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.458 |
| 16 |
24 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6923 |
21.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.103 |
| 17 |
25 |
|
D |
4 |
2 |
10143 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10186 |
21.4 |
0.9 |
0.868 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9953 |
14.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.078 |
27 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10143 |
2.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
8.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.078 |
| 19 |
28 |
|
[ZN]E:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10186 |
11.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.059 |
29 |
|
[ZN]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
10143 |
5.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
8.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
30 |
|
C |
2 |
1 |
6923 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10186 |
11.0 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
E |
2 |
1 |
9953 |
◊ |
B |
x-y,x+1,z-1/6 |
6_564 |
2 |
1 |
10143 |
1.4 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|