## |
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 |
|
B |
428 |
104 |
13436 |
◊ |
A |
x,y,z |
1_555 |
433 |
103 |
13430 |
3867.1 |
-49.1 |
0.238 |
44 |
11 |
0 |
0.442 |
2 |
|
D |
430 |
104 |
13506 |
◊ |
C |
x,y,z |
1_555 |
431 |
103 |
13385 |
3865.2 |
-50.0 |
0.230 |
45 |
10 |
0 |
0.442 |
Average: |
3866.1 |
-49.6 |
0.234 |
45 |
11 |
0 |
0.442 |
2 |
3 |
|
C |
37 |
11 |
13385 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
13436 |
322.7 |
-1.7 |
0.682 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
[HEC]B:1248 |
40 |
1 |
809 |
◊ |
A |
x,y,z |
1_555 |
37 |
7 |
13430 |
321.2 |
-10.0 |
0.691 |
1 |
0 |
0 |
0.136 |
5 |
|
[HEC]D:1249 |
39 |
1 |
809 |
◊ |
C |
x,y,z |
1_555 |
37 |
7 |
13385 |
317.0 |
-11.4 |
0.501 |
1 |
0 |
0 |
0.136 |
6 |
|
[HEC]A:1248 |
40 |
1 |
804 |
◊ |
B |
x,y,z |
1_555 |
37 |
8 |
13436 |
315.8 |
-10.8 |
0.502 |
1 |
0 |
0 |
0.136 |
7 |
|
[HEC]D:1248 |
43 |
1 |
816 |
◊ |
D |
x,y,z |
1_555 |
35 |
7 |
13506 |
307.7 |
-9.2 |
0.703 |
2 |
0 |
0 |
0.136 |
Average: |
315.4 |
-10.4 |
0.599 |
1 |
0 |
0 |
0.136 |
4 |
8 |
|
[HEC]D:1250 |
37 |
1 |
790 |
cf |
D |
x,y,z |
1_555 |
42 |
16 |
13506 |
301.1 |
-10.1 |
0.233 |
0 |
0 |
0 |
0.122 |
9 |
|
[HEC]C:1248 |
37 |
1 |
800 |
cf |
C |
x,y,z |
1_555 |
43 |
16 |
13385 |
297.8 |
-9.8 |
0.293 |
0 |
0 |
0 |
0.122 |
10 |
|
[HEC]B:1249 |
37 |
1 |
798 |
cf |
B |
x,y,z |
1_555 |
42 |
15 |
13436 |
297.6 |
-9.7 |
0.295 |
0 |
0 |
0 |
0.122 |
11 |
|
[HEC]A:1249 |
37 |
1 |
787 |
cf |
A |
x,y,z |
1_555 |
39 |
15 |
13430 |
296.5 |
-9.8 |
0.219 |
0 |
0 |
0 |
0.122 |
Average: |
298.2 |
-9.8 |
0.260 |
0 |
0 |
0 |
0.122 |
5 |
12 |
|
[HEC]C:1248 |
39 |
1 |
800 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
13506 |
291.6 |
-11.1 |
0.292 |
0 |
0 |
0 |
0.136 |
13 |
|
[HEC]A:1249 |
40 |
1 |
787 |
◊ |
B |
x,y,z |
1_555 |
39 |
12 |
13436 |
289.1 |
-10.7 |
0.278 |
0 |
0 |
0 |
0.136 |
14 |
|
[HEC]B:1249 |
40 |
1 |
798 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
13430 |
288.8 |
-11.2 |
0.273 |
0 |
0 |
0 |
0.136 |
15 |
|
[HEC]D:1250 |
40 |
1 |
790 |
◊ |
C |
x,y,z |
1_555 |
40 |
12 |
13385 |
286.8 |
-10.7 |
0.298 |
0 |
0 |
0 |
0.136 |
Average: |
289.1 |
-10.9 |
0.286 |
0 |
0 |
0 |
0.136 |
6 |
16 |
|
[HEC]B:1248 |
35 |
1 |
809 |
cf |
B |
x,y,z |
1_555 |
28 |
11 |
13436 |
269.7 |
-9.5 |
0.117 |
0 |
0 |
0 |
0.118 |
17 |
|
[HEC]D:1249 |
34 |
1 |
809 |
cf |
D |
x,y,z |
1_555 |
33 |
12 |
13506 |
268.2 |
-9.5 |
0.139 |
0 |
0 |
0 |
0.118 |
18 |
|
[HEC]A:1248 |
34 |
1 |
804 |
cf |
A |
x,y,z |
1_555 |
35 |
11 |
13430 |
266.2 |
-9.5 |
0.154 |
0 |
0 |
0 |
0.118 |
19 |
|
[HEC]D:1248 |
35 |
1 |
816 |
cf |
C |
x,y,z |
1_555 |
34 |
12 |
13385 |
250.2 |
-8.5 |
0.190 |
0 |
0 |
0 |
0.118 |
Average: |
263.6 |
-9.3 |
0.150 |
0 |
0 |
0 |
0.118 |
7 |
20 |
|
B |
30 |
11 |
13436 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
20 |
8 |
13506 |
249.0 |
-1.1 |
0.515 |
3 |
0 |
0 |
0.000 |
8 |
21 |
|
D |
25 |
7 |
13506 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
27 |
7 |
13385 |
201.7 |
-0.2 |
0.741 |
3 |
1 |
0 |
0.000 |
9 |
22 |
|
D |
26 |
8 |
13506 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
21 |
6 |
13430 |
190.8 |
-2.8 |
0.380 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
B |
17 |
6 |
13436 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
8 |
13436 |
180.0 |
0.5 |
0.790 |
2 |
0 |
0 |
0.000 |
11 |
24 |
|
C |
18 |
7 |
13385 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
17 |
7 |
13385 |
145.9 |
-1.8 |
0.474 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
A |
20 |
6 |
13430 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
14 |
6 |
13385 |
131.5 |
2.6 |
0.912 |
2 |
1 |
0 |
0.000 |
13 |
26 |
|
D |
19 |
6 |
13506 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
12 |
5 |
13436 |
129.3 |
-1.8 |
0.340 |
1 |
0 |
0 |
0.000 |
14 |
27 |
|
B |
21 |
7 |
13436 |
◊ |
[HEC]D:1248 |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
1 |
816 |
117.0 |
-4.4 |
0.584 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[HEC]B:1249 |
23 |
1 |
798 |
f |
[HEC]B:1248 |
x,y,z |
1_555 |
19 |
1 |
809 |
112.8 |
-3.9 |
0.999 |
0 |
0 |
0 |
0.048 |
29 |
|
[HEC]A:1249 |
20 |
1 |
787 |
f |
[HEC]A:1248 |
x,y,z |
1_555 |
17 |
1 |
804 |
110.3 |
-3.8 |
0.997 |
0 |
0 |
0 |
0.048 |
30 |
|
[HEC]D:1250 |
20 |
1 |
790 |
f |
[HEC]D:1249 |
x,y,z |
1_555 |
18 |
1 |
809 |
109.5 |
-3.7 |
0.998 |
0 |
0 |
0 |
0.048 |
31 |
|
[HEC]D:1248 |
18 |
1 |
816 |
f |
[HEC]C:1248 |
x,y,z |
1_555 |
22 |
1 |
800 |
103.6 |
-3.7 |
0.999 |
0 |
0 |
0 |
0.048 |
Average: |
109.0 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.048 |
16 |
32 |
|
D |
3 |
1 |
13506 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
2 |
13385 |
55.8 |
1.2 |
0.856 |
1 |
2 |
0 |
0.000 |
17 |
33 |
|
C |
5 |
2 |
13385 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
2 |
13430 |
52.7 |
1.1 |
0.873 |
0 |
2 |
0 |
0.000 |
18 |
34 |
|
[HEC]D:1250 |
4 |
1 |
790 |
◊ |
[HEC]C:1248 |
x,y,z |
1_555 |
4 |
1 |
800 |
46.0 |
-1.5 |
0.713 |
0 |
0 |
0 |
0.009 |
35 |
|
[HEC]B:1249 |
4 |
1 |
798 |
◊ |
[HEC]A:1249 |
x,y,z |
1_555 |
4 |
1 |
787 |
45.6 |
-1.5 |
0.715 |
0 |
0 |
0 |
0.009 |
Average: |
45.8 |
-1.5 |
0.714 |
0 |
0 |
0 |
0.009 |
19 |
36 |
|
B |
4 |
1 |
13436 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
2 |
13385 |
43.0 |
-0.1 |
0.607 |
0 |
1 |
0 |
0.000 |
20 |
37 |
|
A |
5 |
2 |
13430 |
◊ |
[HEC]D:1249 |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
1 |
809 |
41.9 |
-0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
B |
4 |
2 |
13436 |
◊ |
[HEC]A:1248 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
804 |
30.0 |
-0.9 |
0.536 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
C |
2 |
1 |
13385 |
◊ |
[HEC]D:1248 |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
816 |
22.1 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
B |
5 |
2 |
13436 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
13430 |
12.7 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
D |
1 |
1 |
13506 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
13430 |
11.8 |
0.6 |
0.903 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
D |
3 |
1 |
13506 |
◊ |
[HEC]B:1248 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
809 |
10.4 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
B |
1 |
1 |
13436 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
13385 |
5.3 |
0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[HEC]D:1249 |
1 |
1 |
809 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
13385 |
5.1 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
A |
1 |
1 |
13430 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
13506 |
1.9 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|