| ## |
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 |
|
C |
64 |
19 |
14970 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
14851 |
597.4 |
0.5 |
0.584 |
11 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
58 |
15 |
14617 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
61 |
16 |
14851 |
572.6 |
-0.2 |
0.392 |
8 |
7 |
0 |
0.000 |
3 |
|
B |
61 |
15 |
14617 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
14851 |
530.3 |
0.2 |
0.375 |
10 |
7 |
0 |
0.000 |
| Average: |
551.4 |
0.0 |
0.384 |
9 |
7 |
0 |
0.000 |
| 3 |
4 |
|
A |
57 |
17 |
14851 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
55 |
18 |
14617 |
523.6 |
3.4 |
0.776 |
5 |
11 |
0 |
0.000 |
| 4 |
5 |
|
A |
46 |
11 |
14851 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
43 |
10 |
14851 |
384.6 |
0.5 |
0.575 |
6 |
4 |
0 |
0.000 |
| 5 |
6 |
|
C |
44 |
10 |
14970 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
14617 |
341.0 |
-1.2 |
0.421 |
6 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[YEM]A:408 |
27 |
1 |
691 |
f |
A |
x,y,z |
1_555 |
46 |
15 |
14851 |
333.7 |
-0.4 |
0.201 |
2 |
0 |
0 |
0.002 |
8 |
|
[YEM]B:407 |
27 |
1 |
689 |
f |
B |
x,y,z |
1_555 |
45 |
15 |
14617 |
325.3 |
0.6 |
0.229 |
2 |
0 |
0 |
0.002 |
9 |
|
[YEM]C:406 |
26 |
1 |
692 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
14970 |
314.5 |
0.9 |
0.289 |
2 |
0 |
0 |
0.002 |
| Average: |
324.5 |
0.4 |
0.240 |
2 |
0 |
0 |
0.002 |
| 7 |
10 |
|
C |
21 |
8 |
14970 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
8 |
14617 |
259.6 |
-0.4 |
0.382 |
2 |
1 |
0 |
0.000 |
| 8 |
11 |
|
C |
20 |
5 |
14970 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
5 |
14617 |
180.1 |
-1.3 |
0.309 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
26 |
8 |
14970 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
23 |
9 |
14617 |
176.7 |
3.6 |
0.870 |
1 |
6 |
0 |
0.000 |
| 10 |
13 |
|
C |
19 |
5 |
14970 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
15 |
4 |
14851 |
156.5 |
-2.0 |
0.177 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
B |
22 |
7 |
14617 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
14 |
4 |
14617 |
136.6 |
1.2 |
0.706 |
2 |
1 |
0 |
0.000 |
| 12 |
15 |
|
[PEG]A:405 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
14851 |
125.6 |
2.5 |
0.307 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[PEG]B:406 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14617 |
122.5 |
2.3 |
0.279 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[PEG]A:407 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
14851 |
119.0 |
1.6 |
0.189 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[PEG]C:405 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
14970 |
100.5 |
3.9 |
0.405 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[PEG]A:406 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
14851 |
97.1 |
3.3 |
0.366 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[ACT]B:404 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
14 |
14617 |
87.0 |
-1.6 |
0.284 |
5 |
0 |
0 |
0.007 |
21 |
|
[ACT]A:404 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
22 |
14 |
14851 |
87.0 |
-1.6 |
0.305 |
5 |
0 |
0 |
0.007 |
| Average: |
87.0 |
-1.6 |
0.294 |
5 |
0 |
0 |
0.007 |
| 18 |
22 |
|
[ACT]C:404 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
14 |
14970 |
86.8 |
-1.6 |
0.288 |
5 |
0 |
0 |
0.007 |
| 19 |
23 |
|
[PEG]B:405 |
6 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
14617 |
76.3 |
2.9 |
0.373 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
14851 |
49.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.023 |
25 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14617 |
48.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
14970 |
48.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
48.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 21 |
27 |
|
C |
10 |
6 |
14970 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
8 |
6 |
14970 |
45.7 |
-0.6 |
0.390 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[PEG]C:405 |
5 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
14617 |
41.2 |
1.0 |
0.259 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
C |
5 |
3 |
14970 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
14851 |
34.5 |
1.0 |
0.824 |
1 |
1 |
0 |
0.000 |
| 24 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
7 |
14851 |
33.0 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.045 |
31 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
14617 |
32.9 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.045 |
32 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
14970 |
32.8 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
32.9 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 25 |
33 |
|
[YEM]C:406 |
2 |
1 |
692 |
f |
[ACT]C:404 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.9 |
-0.7 |
0.352 |
0 |
0 |
0 |
0.001 |
| 26 |
34 |
|
[YEM]B:407 |
2 |
1 |
689 |
f |
[ACT]B:404 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.5 |
-0.7 |
0.384 |
0 |
0 |
0 |
0.001 |
35 |
|
[YEM]A:408 |
2 |
1 |
691 |
f |
[ACT]A:404 |
x,y,z |
1_555 |
4 |
1 |
182 |
28.9 |
-0.6 |
0.385 |
0 |
0 |
0 |
0.001 |
| Average: |
29.7 |
-0.6 |
0.384 |
0 |
0 |
0 |
0.001 |
| 27 |
36 |
|
[PEG]C:405 |
2 |
1 |
260 |
f |
[PEG]B:405 |
x,y,z |
1_555 |
2 |
1 |
257 |
27.7 |
0.1 |
0.144 |
1 |
0 |
0 |
0.000 |
| 28 |
37 |
|
A |
7 |
4 |
14851 |
◊ |
[YEM]A:408 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
691 |
26.8 |
-0.5 |
0.312 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[ACT]C:404 |
3 |
1 |
184 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
39 |
|
[ACT]A:404 |
3 |
1 |
182 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.020 |
40 |
|
[ACT]B:404 |
3 |
1 |
184 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
25.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| 30 |
41 |
|
B |
1 |
1 |
14617 |
f |
[PEG]A:406 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
255 |
19.0 |
-0.1 |
0.172 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
A |
3 |
1 |
14851 |
f |
[PEG]B:406 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
259 |
17.2 |
1.0 |
0.508 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[YEM]B:407 |
1 |
1 |
689 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
44 |
|
[YEM]C:406 |
1 |
1 |
692 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.008 |
45 |
|
[YEM]A:408 |
1 |
1 |
691 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
12.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 33 |
46 |
|
[PEG]A:405 |
2 |
1 |
259 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
14617 |
6.0 |
0.3 |
0.382 |
0 |
0 |
0 |
0.000 |
|