## |
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 |
|
A |
50 |
13 |
11270 |
x |
A |
x-1,y,z |
1_455 |
41 |
15 |
11270 |
403.5 |
0.2 |
0.625 |
4 |
2 |
0 |
0.000 |
2 |
|
B |
41 |
15 |
11112 |
x |
B |
x-1,y,z |
1_455 |
45 |
13 |
11112 |
379.0 |
-0.1 |
0.580 |
4 |
2 |
0 |
0.000 |
Average: |
391.2 |
0.1 |
0.602 |
4 |
2 |
0 |
0.000 |
2 |
3 |
|
A |
45 |
19 |
11270 |
◊ |
B |
x-1,y+1,z |
1_465 |
31 |
12 |
11112 |
366.5 |
2.4 |
0.789 |
2 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
46 |
10 |
11270 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
11 |
11270 |
356.5 |
-3.6 |
0.267 |
2 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
37 |
12 |
11270 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
43 |
13 |
11112 |
346.7 |
-0.8 |
0.494 |
1 |
7 |
0 |
0.000 |
5 |
6 |
|
B |
31 |
7 |
11112 |
◊ |
A |
x,y,z |
1_555 |
37 |
9 |
11270 |
296.4 |
3.7 |
0.872 |
5 |
3 |
0 |
0.000 |
6 |
7 |
|
B |
29 |
10 |
11112 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
36 |
7 |
11112 |
278.6 |
-0.3 |
0.385 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
35 |
9 |
11112 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
32 |
9 |
11270 |
267.9 |
-1.9 |
0.390 |
1 |
1 |
0 |
0.000 |
8 |
9 |
|
B |
26 |
8 |
11112 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
27 |
9 |
11112 |
241.4 |
-0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
25 |
7 |
11112 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
11270 |
190.6 |
-1.8 |
0.353 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
17 |
4 |
11270 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
11112 |
168.1 |
0.8 |
0.699 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[CAC]B:469 |
5 |
1 |
238 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11112 |
121.5 |
2.0 |
0.255 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[CAC]A:463 |
5 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
11270 |
115.8 |
1.9 |
0.251 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[ACT]A:464 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11270 |
111.7 |
-0.4 |
0.605 |
3 |
0 |
0 |
0.020 |
15 |
|
[ACT]B:468 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11112 |
110.9 |
-0.5 |
0.612 |
3 |
0 |
0 |
0.020 |
Average: |
111.3 |
-0.4 |
0.609 |
3 |
0 |
0 |
0.020 |
14 |
16 |
|
[CAC]B:265 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
11112 |
76.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[CAC]A:265 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11270 |
76.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
76.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[MN]A:266 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
11270 |
56.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.049 |
19 |
|
[MN]B:266 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11112 |
56.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
56.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.049 |
16 |
20 |
|
[CAC]A:463 |
3 |
1 |
237 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
11270 |
39.8 |
1.2 |
0.307 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[CL]A:467 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11270 |
37.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
22 |
|
[CL]A:467 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11112 |
28.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
32.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
18 |
23 |
|
[ZN]A:262 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11270 |
33.4 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.276 |
24 |
|
[ZN]B:262 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11112 |
32.7 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
33.0 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.276 |
19 |
25 |
|
[ZN]B:261 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
11112 |
33.0 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.269 |
26 |
|
[ZN]A:261 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
11270 |
32.5 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.269 |
Average: |
32.8 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.269 |
20 |
27 |
|
B |
6 |
2 |
11112 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
11270 |
27.7 |
-0.3 |
0.284 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[CL]A:467 |
1 |
1 |
125 |
◊ |
[MN]A:266 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
29 |
|
[CAC]B:469 |
4 |
1 |
238 |
f |
[ZN]B:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
30 |
|
[CL]A:467 |
1 |
1 |
125 |
◊ |
[MN]B:266 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.022 |
24 |
31 |
|
[CAC]B:469 |
4 |
1 |
238 |
f |
[ZN]B:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.053 |
25 |
32 |
|
[CAC]A:463 |
4 |
1 |
237 |
f |
[ZN]A:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
33 |
|
[CAC]A:463 |
4 |
1 |
237 |
f |
[ZN]A:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.049 |
27 |
34 |
|
B |
1 |
1 |
11112 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
11270 |
13.8 |
0.7 |
0.843 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[ZN]B:262 |
1 |
1 |
98 |
f |
[ZN]B:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.058 |
29 |
36 |
|
[ZN]A:262 |
1 |
1 |
98 |
f |
[ZN]A:261 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.057 |
30 |
37 |
|
[CAC]B:265 |
1 |
1 |
137 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
11112 |
11.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
2 |
1 |
11270 |
◊ |
[CAC]A:265 |
x-1,y,z |
1_455 |
1 |
1 |
137 |
5.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[ACT]A:464 |
1 |
1 |
183 |
f |
[CAC]A:463 |
x,y,z |
1_555 |
1 |
1 |
237 |
6.4 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[ACT]B:468 |
1 |
1 |
184 |
f |
[CAC]B:469 |
x,y,z |
1_555 |
1 |
1 |
238 |
2.4 |
0.0 |
0.316 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[MN]B:266 |
1 |
1 |
123 |
◊ |
[MN]A:266 |
x,y,z |
1_555 |
1 |
1 |
123 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|