| ## |
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 |
203 |
52 |
17357 |
◊ |
A |
x,y,z |
1_555 |
198 |
51 |
17513 |
1982.1 |
-13.0 |
0.212 |
31 |
16 |
0 |
0.303 |
| 2 |
2 |
|
A |
103 |
35 |
17513 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
103 |
35 |
17513 |
922.7 |
7.0 |
0.949 |
18 |
14 |
0 |
0.000 |
| 3 |
3 |
|
A |
50 |
15 |
17513 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
63 |
20 |
17357 |
498.0 |
-1.5 |
0.354 |
4 |
1 |
0 |
0.000 |
| 4 |
4 |
|
[ADP]B:999 |
27 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
54 |
24 |
17357 |
383.7 |
-6.8 |
0.339 |
8 |
0 |
0 |
0.273 |
5 |
|
[ADP]A:999 |
27 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
55 |
23 |
17513 |
381.3 |
-6.8 |
0.353 |
8 |
0 |
0 |
0.273 |
| Average: |
382.5 |
-6.8 |
0.346 |
8 |
0 |
0 |
0.273 |
| 5 |
6 |
|
[SR1]A:998 |
11 |
1 |
320 |
◊ |
A |
x,y,z |
1_555 |
35 |
19 |
17513 |
219.6 |
-2.6 |
0.487 |
5 |
0 |
0 |
0.128 |
7 |
|
[SR1]B:998 |
11 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
38 |
19 |
17357 |
218.5 |
-2.6 |
0.472 |
5 |
0 |
0 |
0.128 |
| Average: |
219.1 |
-2.6 |
0.479 |
5 |
0 |
0 |
0.128 |
| 6 |
8 |
|
B |
24 |
5 |
17357 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
23 |
9 |
17513 |
205.6 |
-2.7 |
0.238 |
1 |
1 |
0 |
0.000 |
| 7 |
9 |
|
A |
17 |
7 |
17513 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
7 |
17357 |
146.8 |
0.6 |
0.683 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]B:804 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17357 |
117.9 |
4.3 |
0.692 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]B:802 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
17357 |
113.4 |
4.4 |
0.727 |
4 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:803 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
17357 |
108.2 |
3.6 |
0.497 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:801 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
17513 |
91.2 |
2.4 |
0.412 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:805 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17357 |
85.1 |
2.6 |
0.394 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[CL]B:888 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17357 |
64.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.286 |
| 14 |
16 |
|
B |
7 |
2 |
17357 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
17357 |
63.5 |
0.7 |
0.755 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
17513 |
45.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.127 |
18 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
17357 |
45.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
45.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.127 |
| 16 |
19 |
|
[EDO]A:801 |
4 |
1 |
182 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
17357 |
43.8 |
1.6 |
0.823 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
17357 |
33.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.145 |
21 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17513 |
33.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
33.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.145 |
| 18 |
22 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
17357 |
31.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.083 |
| 19 |
23 |
|
[ADP]A:999 |
5 |
1 |
543 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
24 |
|
[ADP]B:999 |
4 |
1 |
546 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
31.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| 20 |
25 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17513 |
30.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[ADP]B:999 |
5 |
1 |
546 |
f |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.099 |
27 |
|
[ADP]A:999 |
6 |
1 |
543 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
26.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.099 |
| 22 |
28 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| 23 |
29 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.049 |
| 24 |
30 |
|
[SR1]B:998 |
2 |
1 |
322 |
◊ |
[MG]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
|
[SR1]A:998 |
2 |
1 |
320 |
◊ |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 25 |
32 |
|
[ADP]B:999 |
2 |
1 |
546 |
◊ |
[SR1]B:998 |
x,y,z |
1_555 |
1 |
1 |
322 |
7.9 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.008 |
33 |
|
[ADP]A:999 |
1 |
1 |
543 |
◊ |
[SR1]A:998 |
x,y,z |
1_555 |
1 |
1 |
320 |
6.5 |
-0.3 |
0.367 |
0 |
0 |
0 |
0.008 |
| Average: |
7.2 |
-0.3 |
0.406 |
0 |
0 |
0 |
0.008 |
| 26 |
34 |
|
[SR1]B:998 |
1 |
1 |
322 |
◊ |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
35 |
|
[SR1]A:998 |
1 |
1 |
320 |
◊ |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
5.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 27 |
36 |
|
[SR1]B:998 |
1 |
1 |
322 |
◊ |
[CL]B:888 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
|
[SR1]A:998 |
1 |
1 |
320 |
◊ |
[CL]A:888 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
3.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
|