## |
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 |
|
A |
59 |
16 |
16692 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
67 |
18 |
16283 |
531.5 |
-4.5 |
0.331 |
3 |
0 |
0 |
0.000 |
2 |
|
C |
34 |
7 |
15820 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
32 |
7 |
16239 |
249.7 |
-2.6 |
0.348 |
3 |
0 |
0 |
0.000 |
Average: |
390.6 |
-3.6 |
0.339 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
D |
52 |
16 |
16239 |
◊ |
C |
x,y,z |
1_555 |
57 |
16 |
15820 |
495.7 |
-6.5 |
0.153 |
2 |
0 |
0 |
0.000 |
4 |
|
B |
50 |
15 |
16283 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
16692 |
481.4 |
-7.5 |
0.095 |
3 |
0 |
0 |
0.000 |
Average: |
488.5 |
-7.0 |
0.124 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
48 |
16 |
16692 |
◊ |
D |
x,y-1,z |
1_545 |
45 |
18 |
16239 |
426.8 |
-2.2 |
0.337 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
41 |
11 |
16283 |
◊ |
D |
x,y-1,z |
1_545 |
43 |
9 |
16239 |
356.2 |
-3.4 |
0.289 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
37 |
12 |
15820 |
◊ |
B |
x,y,z |
1_555 |
40 |
9 |
16283 |
345.5 |
-1.8 |
0.440 |
4 |
1 |
0 |
0.000 |
6 |
8 |
|
[QC1]C:503 |
18 |
1 |
425 |
f |
C |
x,y,z |
1_555 |
53 |
21 |
15820 |
296.9 |
1.8 |
0.414 |
4 |
0 |
0 |
0.000 |
9 |
|
[QC1]A:503 |
18 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
51 |
20 |
16692 |
296.7 |
2.2 |
0.452 |
4 |
0 |
0 |
0.000 |
10 |
|
[QC1]D:503 |
18 |
1 |
422 |
f |
D |
x,y,z |
1_555 |
51 |
21 |
16239 |
289.4 |
2.0 |
0.424 |
4 |
0 |
0 |
0.000 |
11 |
|
[QC1]B:503 |
18 |
1 |
418 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
16283 |
286.7 |
2.3 |
0.481 |
3 |
0 |
0 |
0.000 |
Average: |
292.4 |
2.1 |
0.443 |
4 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
22 |
9 |
16283 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
6 |
16692 |
199.5 |
1.0 |
0.720 |
3 |
3 |
0 |
0.000 |
13 |
|
C |
19 |
5 |
15820 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
5 |
16239 |
155.1 |
2.0 |
0.831 |
4 |
4 |
0 |
0.000 |
Average: |
177.3 |
1.5 |
0.775 |
4 |
4 |
0 |
0.000 |
8 |
14 |
|
C |
20 |
7 |
15820 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
24 |
9 |
16239 |
191.9 |
-2.4 |
0.302 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
19 |
6 |
16692 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
18 |
5 |
16283 |
166.4 |
-2.1 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
179.1 |
-2.2 |
0.302 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
D |
17 |
6 |
16239 |
◊ |
A |
x-1,y+1,z |
1_465 |
17 |
6 |
16692 |
125.5 |
1.6 |
0.793 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
C |
16 |
3 |
15820 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
4 |
16283 |
116.9 |
-2.2 |
0.270 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[NI]B:501 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16283 |
48.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.078 |
19 |
|
[NI]C:501 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
15820 |
47.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.078 |
20 |
|
[NI]A:501 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16692 |
47.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.078 |
21 |
|
[NI]D:501 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16239 |
47.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
47.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.078 |
12 |
22 |
|
A |
4 |
1 |
16692 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
16283 |
37.2 |
-1.1 |
0.188 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[QC1]C:503 |
3 |
1 |
425 |
f |
[NI]C:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.031 |
24 |
|
[QC1]A:503 |
3 |
1 |
422 |
f |
[NI]A:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
25 |
|
[QC1]B:503 |
3 |
1 |
418 |
f |
[NI]B:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
35.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
|
[QC1]D:503 |
3 |
1 |
422 |
f |
[NI]D:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
35.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
36.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.031 |
14 |
27 |
|
D |
3 |
1 |
16239 |
x |
D |
x-1,y,z |
1_455 |
4 |
2 |
16239 |
32.4 |
0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
B |
4 |
2 |
16283 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
16283 |
27.1 |
0.6 |
0.803 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
D |
1 |
1 |
16239 |
x |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16239 |
14.8 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
C |
2 |
2 |
15820 |
◊ |
A |
x-1,y+1,z |
1_465 |
2 |
1 |
16692 |
10.2 |
0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
|