## |
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 |
141 |
35 |
13107 |
◊ |
A |
x,y,z |
1_555 |
141 |
35 |
13136 |
1262.4 |
-11.0 |
0.228 |
26 |
14 |
0 |
0.598 |
2 |
2 |
|
B |
67 |
20 |
13107 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
71 |
21 |
13136 |
668.4 |
5.6 |
0.939 |
15 |
3 |
0 |
0.000 |
3 |
|
B |
66 |
21 |
13107 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
63 |
17 |
13136 |
600.5 |
3.9 |
0.881 |
11 |
0 |
0 |
0.000 |
Average: |
634.5 |
4.8 |
0.910 |
13 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
30 |
11 |
13107 |
◊ |
B |
-x+1,y,-z |
2_655 |
30 |
11 |
13107 |
244.2 |
-1.5 |
0.492 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
31 |
8 |
13136 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
31 |
8 |
13136 |
227.8 |
-2.4 |
0.394 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
[EDO]B:415 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13107 |
107.2 |
3.1 |
0.451 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]A:420 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13136 |
104.3 |
2.8 |
0.436 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:411 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13136 |
102.7 |
2.9 |
0.410 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:418 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13107 |
100.1 |
3.3 |
0.524 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]B:414 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
13107 |
99.7 |
2.9 |
0.466 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]A:427 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13136 |
99.2 |
1.1 |
0.140 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:417 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13136 |
99.1 |
3.3 |
0.518 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:422 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13107 |
98.7 |
3.1 |
0.468 |
3 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:424 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
13136 |
98.2 |
3.1 |
0.494 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:408 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
13136 |
97.9 |
2.1 |
0.299 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:407 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
13107 |
93.3 |
1.4 |
0.220 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:421 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
13107 |
88.9 |
2.4 |
0.419 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:432 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13136 |
87.8 |
2.6 |
0.464 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:425 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
13107 |
87.6 |
1.8 |
0.194 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:426 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
13136 |
85.4 |
3.7 |
0.573 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:428 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13107 |
85.3 |
3.0 |
0.527 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:409 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
13107 |
79.9 |
1.8 |
0.217 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
13136 |
77.8 |
1.4 |
0.217 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:416 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
13107 |
76.2 |
2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:416 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
13136 |
74.4 |
2.0 |
0.270 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:419 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13136 |
70.2 |
1.7 |
0.788 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:423 |
4 |
1 |
184 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
14 |
7 |
13136 |
70.0 |
1.1 |
0.670 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13136 |
65.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.487 |
29 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13107 |
64.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.487 |
Average: |
65.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.487 |
28 |
30 |
|
[EDO]A:410 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13136 |
62.8 |
0.5 |
0.486 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:426 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13107 |
62.8 |
1.3 |
0.190 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
A |
8 |
4 |
13136 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
5 |
13136 |
62.3 |
1.0 |
0.821 |
1 |
0 |
0 |
0.000 |
33 |
|
B |
7 |
4 |
13107 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
13107 |
53.8 |
0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
Average: |
58.0 |
0.6 |
0.757 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
[EDO]B:429 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13107 |
59.7 |
1.3 |
0.180 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]A:430 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13136 |
55.7 |
1.1 |
0.453 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[EDO]B:423 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13107 |
55.6 |
1.3 |
0.742 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
B |
12 |
5 |
13107 |
f |
[EDO]A:424 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
182 |
52.3 |
0.5 |
0.683 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
[FMT]A:369 |
3 |
1 |
149 |
cf |
A |
x,y,z |
1_555 |
10 |
8 |
13136 |
49.3 |
-0.5 |
0.358 |
2 |
0 |
0 |
0.033 |
36 |
39 |
|
[FMT]B:369 |
3 |
1 |
149 |
cf |
B |
x,y,z |
1_555 |
10 |
8 |
13107 |
48.3 |
-0.4 |
0.365 |
3 |
0 |
0 |
0.043 |
37 |
40 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13136 |
46.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.236 |
41 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
13107 |
46.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
46.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.236 |
38 |
42 |
|
B |
6 |
2 |
13107 |
◊ |
[EDO]A:413 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
184 |
46.7 |
1.8 |
0.314 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
5 |
3 |
13107 |
◊ |
[EDO]B:421 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
184 |
43.6 |
0.7 |
0.593 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]A:413 |
4 |
1 |
184 |
◊ |
[EDO]A:412 |
x,y,z |
1_555 |
4 |
1 |
185 |
40.6 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13136 |
39.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.177 |
46 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
13107 |
39.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
39.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.177 |
42 |
47 |
|
[EDO]B:423 |
3 |
1 |
184 |
◊ |
[EDO]A:419 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
183 |
38.3 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
43 |
48 |
|
B |
4 |
2 |
13107 |
f |
[EDO]A:412 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
31.7 |
1.1 |
0.931 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[EDO]B:431 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
13107 |
30.9 |
0.8 |
0.665 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[EDO]B:409 |
2 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
13136 |
30.1 |
1.1 |
0.941 |
1 |
0 |
0 |
0.000 |
46 |
51 |
|
[FMT]B:369 |
3 |
1 |
149 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
47 |
52 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
48 |
53 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[MN]A:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.049 |
54 |
|
[FMT]B:369 |
3 |
1 |
149 |
f |
[MN]B:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
22.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
23.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.049 |
49 |
55 |
|
[FMT]B:369 |
3 |
1 |
149 |
f |
[EDO]B:407 |
x,y,z |
1_555 |
2 |
1 |
182 |
22.2 |
0.6 |
0.839 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
[EDO]A:408 |
2 |
1 |
183 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
21.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
57 |
|
B |
3 |
1 |
13107 |
f |
[EDO]A:419 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
183 |
20.6 |
0.6 |
0.876 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]B:407 |
2 |
1 |
182 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
53 |
59 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[EDO]A:408 |
x,y,z |
1_555 |
2 |
1 |
183 |
19.6 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[EDO]B:418 |
1 |
1 |
184 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
13136 |
19.4 |
0.9 |
0.633 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
B |
3 |
1 |
13107 |
f |
[EDO]A:417 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
184 |
17.6 |
0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
B |
5 |
3 |
13107 |
◊ |
[NA]A:405 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
16.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[NA]B:406 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
3 |
13136 |
15.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
64 |
|
B |
1 |
1 |
13107 |
f |
[EDO]B:414 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
185 |
15.8 |
0.4 |
0.947 |
1 |
0 |
0 |
0.001 |
58 |
65 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.038 |
59 |
66 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.038 |
60 |
67 |
|
[EDO]B:407 |
3 |
1 |
182 |
f |
[MN]B:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
61 |
68 |
|
[EDO]B:421 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13136 |
14.6 |
0.9 |
0.985 |
0 |
0 |
0 |
0.000 |
62 |
69 |
|
[EDO]A:408 |
3 |
1 |
183 |
f |
[MN]A:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
63 |
70 |
|
[EDO]B:425 |
1 |
1 |
184 |
f |
[EDO]B:429 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
184 |
1.9 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
71 |
|
[EDO]B:421 |
1 |
1 |
184 |
◊ |
[EDO]B:414 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|