## |
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 |
487 |
119 |
19335 |
◊ |
A |
x,y,z |
1_555 |
486 |
120 |
19285 |
4556.3 |
-38.9 |
0.028 |
51 |
42 |
0 |
1.000 |
2 |
2 |
|
A |
154 |
46 |
19285 |
◊ |
A |
-x,-y+1,z |
2_565 |
153 |
46 |
19285 |
1489.5 |
-5.1 |
0.465 |
13 |
16 |
0 |
0.189 |
3 |
|
B |
156 |
46 |
19335 |
◊ |
B |
-x,-y+1,z |
2_565 |
154 |
46 |
19335 |
1472.5 |
-5.9 |
0.407 |
13 |
16 |
0 |
0.189 |
Average: |
1481.0 |
-5.5 |
0.436 |
13 |
16 |
0 |
0.189 |
3 |
4 |
|
B |
165 |
42 |
19335 |
◊ |
A |
-x,-y+1,z |
2_565 |
164 |
41 |
19285 |
1412.5 |
-7.0 |
0.366 |
5 |
9 |
0 |
0.145 |
4 |
5 |
|
B |
59 |
21 |
19335 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
61 |
18 |
19335 |
553.7 |
2.3 |
0.791 |
4 |
2 |
0 |
0.000 |
5 |
6 |
|
A |
45 |
13 |
19285 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
53 |
19 |
19285 |
460.7 |
0.4 |
0.677 |
2 |
1 |
0 |
0.000 |
6 |
7 |
|
[EDO]B:1207 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
19335 |
118.3 |
3.3 |
0.536 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:403 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
19285 |
118.2 |
3.3 |
0.537 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:1203 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
19335 |
114.1 |
2.5 |
0.494 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:401 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
19285 |
113.4 |
2.5 |
0.505 |
1 |
0 |
0 |
0.000 |
Average: |
113.8 |
2.5 |
0.500 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[EDO]B:1204 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
19335 |
108.7 |
4.4 |
0.715 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]A:406 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
19285 |
108.4 |
4.2 |
0.702 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
13 |
5 |
19335 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
4 |
19285 |
104.3 |
-0.3 |
0.541 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
17 |
4 |
19335 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
19285 |
92.7 |
0.4 |
0.677 |
1 |
2 |
0 |
0.000 |
Average: |
98.5 |
0.0 |
0.609 |
1 |
1 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:410 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
19285 |
104.2 |
4.2 |
0.541 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]B:1206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
19335 |
98.6 |
3.4 |
0.471 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:1209 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19335 |
97.7 |
3.3 |
0.424 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]B:1205 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
19335 |
93.3 |
2.7 |
0.472 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]A:404 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19285 |
87.8 |
3.1 |
0.447 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]A:408 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
19285 |
86.4 |
1.7 |
0.348 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]B:1201 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
19335 |
86.0 |
2.6 |
0.509 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
19285 |
85.8 |
1.9 |
0.407 |
0 |
0 |
0 |
0.000 |
Average: |
85.9 |
2.3 |
0.458 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]B:1210 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
19335 |
85.4 |
2.9 |
0.472 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:411 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19285 |
82.0 |
1.8 |
0.257 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]A:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19335 |
80.3 |
1.6 |
0.758 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]B:1208 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19335 |
80.3 |
1.8 |
0.258 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:1202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19285 |
79.5 |
1.5 |
0.254 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]B:1202 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19335 |
77.6 |
2.4 |
0.273 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]A:405 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
19285 |
76.0 |
2.4 |
0.275 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
B |
8 |
3 |
19335 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
19335 |
74.3 |
0.3 |
0.582 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:409 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
19285 |
73.3 |
2.5 |
0.458 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]A:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
19335 |
69.2 |
1.4 |
0.206 |
2 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:1201 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
19285 |
67.9 |
1.3 |
0.212 |
2 |
0 |
0 |
0.000 |
Average: |
68.6 |
1.4 |
0.209 |
2 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:408 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19335 |
67.5 |
1.9 |
0.275 |
1 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
19335 |
66.9 |
1.8 |
0.273 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]B:1210 |
4 |
1 |
183 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
19335 |
64.4 |
1.5 |
0.850 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]B:1208 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
19285 |
60.8 |
2.0 |
0.249 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]A:411 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
19335 |
60.6 |
2.0 |
0.250 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
19285 |
54.9 |
1.3 |
0.798 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[MG]A:413 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
19285 |
48.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.434 |
41 |
|
[MG]B:1212 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
19335 |
47.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.434 |
Average: |
47.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.434 |
36 |
42 |
|
[EDO]A:407 |
2 |
1 |
184 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
2 |
19285 |
43.4 |
0.9 |
0.501 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
A |
3 |
1 |
19285 |
f |
[EDO]A:404 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
184 |
37.7 |
0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[MG]B:1211 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
19335 |
37.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.321 |
45 |
|
[MG]A:412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
19285 |
37.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.321 |
Average: |
37.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.321 |
39 |
46 |
|
[MG]B:1211 |
1 |
1 |
98 |
f |
[EDO]B:1203 |
x,y,z |
1_555 |
2 |
1 |
184 |
24.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.094 |
47 |
|
[MG]A:412 |
1 |
1 |
98 |
f |
[EDO]A:401 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
24.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.094 |
40 |
48 |
|
[EDO]A:409 |
2 |
1 |
183 |
f |
B |
-x,-y+1,z |
2_565 |
2 |
1 |
19335 |
10.7 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
B |
1 |
1 |
19335 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19285 |
7.2 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[MG]A:413 |
1 |
1 |
98 |
f |
[MG]A:412 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.049 |
43 |
51 |
|
[MG]B:1212 |
1 |
1 |
98 |
f |
[MG]B:1211 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.023 |
44 |
52 |
|
[MG]B:1212 |
1 |
1 |
98 |
◊ |
A |
-x,-y+1,z |
2_565 |
1 |
1 |
19285 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
53 |
|
[MG]A:413 |
1 |
1 |
98 |
◊ |
B |
-x,-y+1,z |
2_565 |
1 |
1 |
19335 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
45 |
54 |
|
[EDO]B:1205 |
1 |
1 |
183 |
f |
A |
-x,-y+1,z |
2_565 |
1 |
1 |
19285 |
2.2 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
|