| ## |
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 |
262 |
69 |
20441 |
◊ |
C |
x,y,z |
1_555 |
257 |
69 |
20399 |
2629.9 |
-37.8 |
0.003 |
34 |
12 |
0 |
0.597 |
2 |
|
B |
260 |
68 |
20305 |
◊ |
A |
x,y,z |
1_555 |
263 |
68 |
20300 |
2601.9 |
-35.8 |
0.006 |
30 |
11 |
0 |
0.597 |
| Average: |
2615.9 |
-36.8 |
0.004 |
32 |
12 |
0 |
0.597 |
| 2 |
3 |
|
C |
59 |
16 |
20399 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
62 |
15 |
20300 |
589.8 |
-10.9 |
0.040 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[HEC]A:1901 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
20300 |
586.9 |
-20.0 |
0.225 |
1 |
0 |
0 |
0.460 |
5 |
|
[HEC]C:3901 |
43 |
1 |
836 |
f |
C |
x,y,z |
1_555 |
84 |
24 |
20399 |
584.5 |
-19.6 |
0.292 |
1 |
0 |
0 |
0.460 |
6 |
|
[HEC]D:4901 |
43 |
1 |
830 |
f |
D |
x,y,z |
1_555 |
84 |
26 |
20441 |
580.1 |
-19.7 |
0.250 |
1 |
0 |
0 |
0.460 |
7 |
|
[HEC]B:2901 |
43 |
1 |
833 |
f |
B |
x,y,z |
1_555 |
76 |
23 |
20305 |
577.9 |
-19.5 |
0.242 |
1 |
0 |
0 |
0.460 |
| Average: |
582.4 |
-19.7 |
0.252 |
1 |
0 |
0 |
0.460 |
| 4 |
8 |
|
D |
37 |
12 |
20441 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
20300 |
351.7 |
-2.3 |
0.442 |
9 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
28 |
9 |
20305 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
12 |
20399 |
271.1 |
-7.0 |
0.049 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
28 |
10 |
20399 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
22 |
7 |
20441 |
251.1 |
-3.0 |
0.253 |
1 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
24 |
6 |
20399 |
◊ |
D |
x-1,y,z |
1_455 |
21 |
6 |
20441 |
221.4 |
1.4 |
0.787 |
6 |
4 |
0 |
0.000 |
12 |
|
A |
18 |
4 |
20300 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
6 |
20305 |
203.1 |
0.0 |
0.619 |
3 |
3 |
0 |
0.000 |
| Average: |
212.2 |
0.7 |
0.703 |
5 |
4 |
0 |
0.000 |
| 8 |
13 |
|
[H4B]A:1902 |
17 |
1 |
407 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20300 |
210.4 |
1.8 |
0.420 |
3 |
0 |
0 |
0.000 |
14 |
|
[H4B]D:4902 |
17 |
1 |
406 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
20441 |
210.3 |
1.7 |
0.403 |
3 |
0 |
0 |
0.000 |
15 |
|
[H4B]C:3902 |
17 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
26 |
8 |
20399 |
208.8 |
2.1 |
0.455 |
3 |
0 |
0 |
0.000 |
16 |
|
[H4B]B:2902 |
17 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20305 |
201.7 |
1.1 |
0.275 |
2 |
0 |
0 |
0.000 |
| Average: |
207.8 |
1.7 |
0.388 |
3 |
0 |
0 |
0.000 |
| 9 |
17 |
|
A |
21 |
10 |
20300 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
6 |
20305 |
155.4 |
-0.8 |
0.383 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[H4B]D:4902 |
15 |
1 |
406 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
20399 |
126.2 |
-0.1 |
0.224 |
0 |
0 |
0 |
0.003 |
19 |
|
[H4B]C:3902 |
14 |
1 |
407 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
20441 |
123.5 |
-0.2 |
0.225 |
0 |
0 |
0 |
0.003 |
20 |
|
[H4B]A:1902 |
14 |
1 |
407 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20305 |
122.1 |
-0.1 |
0.245 |
0 |
0 |
0 |
0.003 |
21 |
|
[H4B]B:2902 |
14 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20300 |
120.5 |
1.0 |
0.342 |
2 |
0 |
0 |
0.003 |
| Average: |
123.1 |
0.2 |
0.259 |
1 |
0 |
0 |
0.003 |
| 11 |
22 |
|
C |
10 |
3 |
20399 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
3 |
20305 |
109.6 |
1.3 |
0.809 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[IMD]C:3904 |
5 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
20399 |
103.8 |
2.4 |
0.240 |
1 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[IMD]A:1904 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20300 |
102.3 |
2.6 |
0.257 |
1 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[IMD]B:2904 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20305 |
102.1 |
2.6 |
0.362 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[IMD]D:4904 |
5 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
20441 |
101.5 |
2.7 |
0.376 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[IMD]C:3904 |
5 |
1 |
199 |
f |
[HEC]C:3901 |
x,y,z |
1_555 |
24 |
1 |
836 |
70.7 |
0.9 |
0.251 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[IMD]D:4904 |
5 |
1 |
197 |
f |
[HEC]D:4901 |
x,y,z |
1_555 |
27 |
1 |
830 |
69.0 |
0.9 |
0.251 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[IMD]B:2904 |
5 |
1 |
198 |
f |
[HEC]B:2901 |
x,y,z |
1_555 |
27 |
1 |
833 |
68.5 |
1.0 |
0.264 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[IMD]A:1904 |
5 |
1 |
198 |
f |
[HEC]A:1901 |
x,y,z |
1_555 |
22 |
1 |
831 |
67.4 |
1.0 |
0.251 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
D |
8 |
2 |
20441 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
20305 |
64.3 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
7 |
2 |
20399 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
2 |
20300 |
59.0 |
-0.5 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
61.6 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[H4B]B:2902 |
4 |
1 |
405 |
f |
[HEC]B:2901 |
x,y,z |
1_555 |
6 |
1 |
833 |
47.9 |
-1.1 |
0.511 |
2 |
0 |
0 |
0.048 |
34 |
|
[H4B]C:3902 |
5 |
1 |
407 |
f |
[HEC]C:3901 |
x,y,z |
1_555 |
6 |
1 |
836 |
45.8 |
-1.3 |
0.459 |
2 |
0 |
0 |
0.048 |
35 |
|
[H4B]A:1902 |
5 |
1 |
407 |
f |
[HEC]A:1901 |
x,y,z |
1_555 |
4 |
1 |
831 |
44.0 |
-1.3 |
0.377 |
2 |
0 |
0 |
0.048 |
36 |
|
[H4B]D:4902 |
5 |
1 |
406 |
f |
[HEC]D:4901 |
x,y,z |
1_555 |
6 |
1 |
830 |
42.8 |
-1.2 |
0.470 |
2 |
0 |
0 |
0.048 |
| Average: |
45.1 |
-1.2 |
0.454 |
2 |
0 |
0 |
0.048 |
| 22 |
37 |
|
[ZN]A:1903 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20300 |
35.5 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.316 |
38 |
|
[ZN]C:3903 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20441 |
34.6 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.316 |
39 |
|
[ZN]C:3903 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
20399 |
34.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.316 |
40 |
|
[ZN]A:1903 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20305 |
34.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.316 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.316 |
| 23 |
41 |
|
D |
2 |
1 |
20441 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
20441 |
5.3 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
|