| ## |
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 |
53 |
16 |
16332 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
15812 |
495.3 |
-6.4 |
0.159 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
50 |
15 |
16396 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
16398 |
484.2 |
-7.4 |
0.108 |
2 |
0 |
0 |
0.000 |
| Average: |
489.8 |
-6.9 |
0.133 |
3 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
51 |
15 |
16398 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
13 |
16396 |
476.8 |
-5.6 |
0.230 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
50 |
16 |
16398 |
◊ |
D |
x,y-1,z |
1_545 |
52 |
20 |
16332 |
463.5 |
-1.9 |
0.397 |
3 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
37 |
10 |
16396 |
◊ |
D |
x,y-1,z |
1_545 |
45 |
9 |
16332 |
350.0 |
-3.3 |
0.254 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
38 |
12 |
15812 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
16396 |
339.9 |
1.2 |
0.689 |
5 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[QC2]C:503 |
21 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
55 |
21 |
15812 |
313.1 |
-1.7 |
0.402 |
4 |
0 |
0 |
0.026 |
8 |
|
[QC2]A:503 |
21 |
1 |
443 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
16398 |
308.5 |
-1.6 |
0.396 |
2 |
0 |
0 |
0.026 |
9 |
|
[QC2]D:503 |
21 |
1 |
443 |
f |
D |
x,y,z |
1_555 |
52 |
21 |
16332 |
303.0 |
-1.9 |
0.363 |
5 |
0 |
0 |
0.026 |
10 |
|
[QC2]B:503 |
21 |
1 |
440 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
16396 |
302.0 |
-1.6 |
0.430 |
3 |
0 |
0 |
0.026 |
| Average: |
306.6 |
-1.7 |
0.398 |
4 |
0 |
0 |
0.026 |
| 7 |
11 |
|
C |
33 |
7 |
15812 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
32 |
7 |
16332 |
260.1 |
-1.7 |
0.441 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
23 |
9 |
16396 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
6 |
16398 |
218.0 |
2.2 |
0.843 |
2 |
4 |
0 |
0.000 |
13 |
|
C |
23 |
7 |
15812 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
6 |
16332 |
166.0 |
2.7 |
0.878 |
3 |
4 |
0 |
0.000 |
| Average: |
192.0 |
2.4 |
0.861 |
3 |
4 |
0 |
0.000 |
| 9 |
14 |
|
C |
19 |
6 |
15812 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
26 |
9 |
16332 |
193.3 |
-1.1 |
0.476 |
1 |
0 |
0 |
0.000 |
15 |
|
A |
18 |
5 |
16398 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
16 |
6 |
16396 |
159.4 |
-1.6 |
0.369 |
1 |
0 |
0 |
0.000 |
| Average: |
176.3 |
-1.4 |
0.422 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
D |
18 |
6 |
16332 |
◊ |
A |
x-1,y+1,z |
1_465 |
16 |
6 |
16398 |
131.0 |
0.9 |
0.713 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
C |
15 |
3 |
15812 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
4 |
16396 |
114.3 |
-1.6 |
0.326 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[NI]C:501 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
15812 |
43.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
|
[NI]A:501 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16398 |
43.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
|
[NI]D:501 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16332 |
42.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.050 |
21 |
|
[NI]B:501 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16396 |
42.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
43.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.050 |
| 13 |
22 |
|
[QC2]D:503 |
6 |
1 |
443 |
f |
[NI]D:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
40.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.032 |
23 |
|
[QC2]A:503 |
6 |
1 |
443 |
f |
[NI]A:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
40.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.032 |
24 |
|
[QC2]B:503 |
6 |
1 |
440 |
f |
[NI]B:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
40.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
|
[QC2]C:503 |
6 |
1 |
451 |
f |
[NI]C:501 |
x,y,z |
1_555 |
1 |
1 |
115 |
40.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
40.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 14 |
26 |
|
B |
4 |
2 |
16396 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
16396 |
38.1 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
A |
4 |
1 |
16398 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
16396 |
37.6 |
-1.1 |
0.189 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
D |
3 |
1 |
16332 |
x |
D |
x-1,y,z |
1_455 |
4 |
3 |
16332 |
32.1 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
D |
1 |
1 |
16332 |
x |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16332 |
12.1 |
0.3 |
0.869 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
C |
2 |
2 |
15812 |
◊ |
A |
x-1,y+1,z |
1_465 |
2 |
2 |
16398 |
3.4 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
|