## |
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 |
|
E |
233 |
67 |
13929 |
◊ |
D |
x,y,z |
1_555 |
231 |
59 |
13974 |
2241.9 |
-24.4 |
0.092 |
34 |
7 |
0 |
1.000 |
2 |
|
B |
233 |
67 |
13691 |
◊ |
A |
x,y,z |
1_555 |
236 |
59 |
14111 |
2230.7 |
-22.9 |
0.123 |
35 |
8 |
0 |
1.000 |
3 |
|
D |
236 |
67 |
13974 |
◊ |
C |
x,y,z |
1_555 |
235 |
61 |
14204 |
2226.8 |
-24.1 |
0.108 |
34 |
6 |
0 |
1.000 |
4 |
|
C |
226 |
66 |
14204 |
◊ |
B |
x,y,z |
1_555 |
239 |
60 |
13691 |
2219.7 |
-24.1 |
0.092 |
36 |
6 |
0 |
1.000 |
5 |
|
E |
233 |
59 |
13929 |
◊ |
A |
x,y,z |
1_555 |
228 |
67 |
14111 |
2219.0 |
-23.8 |
0.100 |
33 |
6 |
0 |
1.000 |
Average: |
2227.6 |
-23.8 |
0.103 |
34 |
7 |
0 |
1.000 |
2 |
6 |
|
C |
57 |
21 |
14204 |
◊ |
A |
-x,y,-z |
2_555 |
49 |
16 |
14111 |
518.4 |
-5.6 |
0.214 |
5 |
0 |
1 |
0.152 |
7 |
|
E |
50 |
17 |
13929 |
◊ |
D |
-x,y,-z |
2_555 |
54 |
19 |
13974 |
447.2 |
-5.0 |
0.298 |
5 |
1 |
1 |
0.152 |
8 |
|
B |
28 |
11 |
13691 |
◊ |
B |
-x,y,-z |
2_555 |
28 |
11 |
13691 |
259.1 |
-3.5 |
0.269 |
4 |
0 |
1 |
0.152 |
Average: |
408.2 |
-4.7 |
0.260 |
5 |
0 |
1 |
0.152 |
3 |
9 |
|
A |
40 |
13 |
14111 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
36 |
10 |
13929 |
359.7 |
1.4 |
0.763 |
5 |
1 |
0 |
0.000 |
4 |
10 |
|
D |
24 |
7 |
13974 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
20 |
7 |
14111 |
204.4 |
-0.8 |
0.528 |
3 |
1 |
0 |
0.000 |
5 |
11 |
|
[SIA]E:298 |
16 |
1 |
435 |
f |
E |
x,y,z |
1_555 |
28 |
12 |
13929 |
188.9 |
-0.6 |
0.477 |
9 |
0 |
0 |
0.084 |
12 |
|
[SIA]C:298 |
15 |
1 |
433 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
14204 |
186.5 |
-0.7 |
0.461 |
7 |
0 |
0 |
0.084 |
13 |
|
[SIA]A:298 |
15 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
14111 |
186.0 |
-1.0 |
0.434 |
8 |
0 |
0 |
0.084 |
Average: |
187.2 |
-0.8 |
0.457 |
8 |
0 |
0 |
0.084 |
6 |
14 |
|
C |
19 |
5 |
14204 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
21 |
7 |
13929 |
182.3 |
-1.4 |
0.426 |
1 |
1 |
0 |
0.000 |
7 |
15 |
|
C |
11 |
4 |
14204 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
6 |
13929 |
116.1 |
1.5 |
0.842 |
2 |
0 |
0 |
0.000 |
8 |
16 |
|
[GAL]C:299 |
9 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
14204 |
111.1 |
2.5 |
0.353 |
2 |
0 |
0 |
0.000 |
17 |
|
[GAL]A:299 |
9 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14111 |
110.0 |
2.9 |
0.428 |
3 |
0 |
0 |
0.000 |
18 |
|
[GAL]E:299 |
9 |
1 |
291 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
13929 |
109.5 |
2.6 |
0.357 |
2 |
0 |
0 |
0.000 |
Average: |
110.2 |
2.7 |
0.379 |
2 |
0 |
0 |
0.000 |
9 |
19 |
|
[NGA]E:300 |
10 |
1 |
360 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
13929 |
97.8 |
2.3 |
0.200 |
0 |
0 |
0 |
0.000 |
20 |
|
[NGA]C:300 |
10 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
14204 |
96.3 |
2.3 |
0.158 |
0 |
0 |
0 |
0.000 |
21 |
|
[NGA]A:300 |
9 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14111 |
93.5 |
2.4 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
95.9 |
2.3 |
0.202 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
[EDO]E:5 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
13929 |
97.2 |
2.8 |
0.458 |
1 |
0 |
0 |
0.000 |
11 |
23 |
|
[EDO]D:4 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13974 |
96.3 |
2.8 |
0.481 |
1 |
0 |
0 |
0.000 |
12 |
24 |
|
[EDO]A:9 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14111 |
95.5 |
3.0 |
0.487 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
B |
8 |
3 |
13691 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
4 |
13974 |
86.6 |
1.5 |
0.853 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[EDO]B:1 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14111 |
84.7 |
2.3 |
0.456 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]C:2 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
14204 |
79.9 |
1.9 |
0.396 |
0 |
0 |
0 |
0.000 |
Average: |
82.3 |
2.1 |
0.426 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]A:3 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
13929 |
84.4 |
2.5 |
0.483 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[NGA]A:300 |
10 |
1 |
359 |
f |
[SIA]A:298 |
x,y,z |
1_555 |
9 |
1 |
435 |
75.8 |
2.5 |
0.235 |
1 |
0 |
0 |
0.000 |
30 |
|
[NGA]C:300 |
9 |
1 |
359 |
f |
[SIA]C:298 |
x,y,z |
1_555 |
9 |
1 |
433 |
74.8 |
2.5 |
0.251 |
1 |
0 |
0 |
0.000 |
31 |
|
[NGA]E:300 |
9 |
1 |
360 |
f |
[SIA]E:298 |
x,y,z |
1_555 |
9 |
1 |
435 |
73.5 |
2.5 |
0.255 |
2 |
0 |
0 |
0.000 |
Average: |
74.7 |
2.5 |
0.247 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[NGA]C:300 |
9 |
1 |
359 |
cf |
[GAL]C:301 |
x,y,z |
1_555 |
5 |
1 |
290 |
74.1 |
2.1 |
0.084 |
1 |
0 |
0 |
0.000 |
33 |
|
[NGA]A:300 |
9 |
1 |
359 |
cf |
[GAL]A:301 |
x,y,z |
1_555 |
6 |
1 |
291 |
72.4 |
1.9 |
0.094 |
1 |
0 |
0 |
0.000 |
34 |
|
[NGA]E:300 |
10 |
1 |
360 |
cf |
[GAL]E:301 |
x,y,z |
1_555 |
5 |
1 |
291 |
71.7 |
1.8 |
0.075 |
1 |
0 |
0 |
0.000 |
Average: |
72.7 |
2.0 |
0.084 |
1 |
0 |
0 |
0.000 |
18 |
35 |
|
[BGC]C:302 |
6 |
1 |
307 |
cf |
[GAL]C:301 |
x,y,z |
1_555 |
7 |
1 |
290 |
68.3 |
1.3 |
0.105 |
1 |
0 |
0 |
0.000 |
36 |
|
[BGC]A:302 |
6 |
1 |
307 |
cf |
[GAL]A:301 |
x,y,z |
1_555 |
7 |
1 |
291 |
65.2 |
1.3 |
0.113 |
0 |
0 |
0 |
0.000 |
Average: |
66.8 |
1.3 |
0.109 |
1 |
0 |
0 |
0.000 |
19 |
37 |
|
[NGA]A:300 |
10 |
1 |
359 |
cf |
[GAL]A:299 |
x,y,z |
1_555 |
7 |
1 |
291 |
65.8 |
2.6 |
0.086 |
0 |
0 |
0 |
0.000 |
38 |
|
[NGA]C:300 |
10 |
1 |
359 |
cf |
[GAL]C:299 |
x,y,z |
1_555 |
6 |
1 |
292 |
65.7 |
2.5 |
0.077 |
0 |
0 |
0 |
0.000 |
39 |
|
[NGA]E:300 |
10 |
1 |
360 |
cf |
[GAL]E:299 |
x,y,z |
1_555 |
6 |
1 |
291 |
64.8 |
2.5 |
0.089 |
0 |
0 |
0 |
0.000 |
Average: |
65.4 |
2.5 |
0.084 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
[EDO]C:2 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13974 |
64.4 |
1.0 |
0.669 |
1 |
0 |
0 |
0.000 |
21 |
41 |
|
[BGC]E:302 |
6 |
1 |
304 |
cf |
[GAL]E:301 |
x,y,z |
1_555 |
7 |
1 |
291 |
63.2 |
1.2 |
0.087 |
1 |
0 |
0 |
0.000 |
22 |
42 |
|
[EDO]B:1 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13691 |
62.3 |
0.8 |
0.649 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:3 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14111 |
60.3 |
0.7 |
0.644 |
1 |
0 |
0 |
0.000 |
Average: |
61.3 |
0.8 |
0.647 |
1 |
0 |
0 |
0.000 |
23 |
44 |
|
[GAL]C:301 |
6 |
1 |
290 |
cf |
[SIA]C:298 |
x,y,z |
1_555 |
8 |
1 |
433 |
60.6 |
2.7 |
0.335 |
0 |
0 |
0 |
0.000 |
45 |
|
[GAL]E:301 |
6 |
1 |
291 |
cf |
[SIA]E:298 |
x,y,z |
1_555 |
9 |
1 |
435 |
60.1 |
2.7 |
0.345 |
0 |
0 |
0 |
0.000 |
46 |
|
[GAL]A:301 |
5 |
1 |
291 |
cf |
[SIA]A:298 |
x,y,z |
1_555 |
8 |
1 |
435 |
59.6 |
2.6 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
60.1 |
2.7 |
0.384 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
[GAL]E:299 |
5 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
13974 |
53.6 |
1.0 |
0.317 |
0 |
0 |
0 |
0.000 |
48 |
|
[GAL]A:299 |
5 |
1 |
291 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
13929 |
51.6 |
1.0 |
0.324 |
0 |
0 |
0 |
0.000 |
49 |
|
[GAL]C:299 |
4 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13691 |
51.0 |
0.8 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
52.1 |
0.9 |
0.357 |
0 |
0 |
0 |
0.000 |
25 |
50 |
|
[SIA]E:298 |
6 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
14111 |
52.8 |
-1.4 |
0.209 |
0 |
0 |
0 |
0.027 |
51 |
|
[SIA]C:298 |
6 |
1 |
433 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
13974 |
51.9 |
-1.4 |
0.180 |
0 |
0 |
0 |
0.027 |
52 |
|
[SIA]A:298 |
6 |
1 |
435 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13691 |
49.7 |
-1.4 |
0.189 |
0 |
0 |
0 |
0.027 |
Average: |
51.5 |
-1.4 |
0.193 |
0 |
0 |
0 |
0.027 |
26 |
53 |
|
C |
4 |
1 |
14204 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
1 |
14204 |
49.2 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
27 |
54 |
|
B |
5 |
3 |
13691 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
14204 |
36.5 |
0.8 |
0.822 |
0 |
2 |
0 |
0.000 |
28 |
55 |
|
A |
4 |
2 |
14111 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
13974 |
25.3 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
B |
4 |
2 |
13691 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
13929 |
24.9 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[NGA]E:300 |
2 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13974 |
20.4 |
0.8 |
0.576 |
0 |
0 |
0 |
0.000 |
58 |
|
[NGA]C:300 |
2 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13691 |
18.2 |
0.7 |
0.471 |
0 |
0 |
0 |
0.000 |
59 |
|
[NGA]A:300 |
2 |
1 |
359 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
13929 |
15.7 |
0.6 |
0.454 |
0 |
0 |
0 |
0.000 |
Average: |
18.1 |
0.7 |
0.500 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
[EDO]A:3 |
2 |
1 |
184 |
f |
[SIA]E:298 |
x,y,z |
1_555 |
1 |
1 |
435 |
15.3 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]C:2 |
2 |
1 |
186 |
f |
[SIA]C:298 |
x,y,z |
1_555 |
1 |
1 |
433 |
14.6 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]B:1 |
2 |
1 |
185 |
f |
[SIA]A:298 |
x,y,z |
1_555 |
1 |
1 |
435 |
14.0 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
32 |
63 |
|
[BGC]A:302 |
3 |
1 |
307 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
13974 |
12.7 |
0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
33 |
64 |
|
[GAL]A:299 |
2 |
1 |
291 |
f |
[SIA]A:298 |
x,y,z |
1_555 |
3 |
1 |
435 |
11.2 |
0.2 |
0.324 |
0 |
0 |
0 |
0.000 |
65 |
|
[GAL]C:299 |
2 |
1 |
292 |
f |
[SIA]C:298 |
x,y,z |
1_555 |
3 |
1 |
433 |
10.3 |
0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
66 |
|
[GAL]E:299 |
2 |
1 |
291 |
f |
[SIA]E:298 |
x,y,z |
1_555 |
3 |
1 |
435 |
9.0 |
0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
10.1 |
0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
[GAL]E:301 |
1 |
1 |
291 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
13929 |
9.5 |
0.1 |
0.332 |
0 |
0 |
0 |
0.000 |
68 |
|
[GAL]A:301 |
1 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14111 |
7.8 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
69 |
|
[GAL]C:301 |
1 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
14204 |
6.5 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
Average: |
7.9 |
0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
35 |
70 |
|
[BGC]A:302 |
1 |
1 |
307 |
f |
[NGA]A:300 |
x,y,z |
1_555 |
3 |
1 |
359 |
8.3 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
71 |
|
[BGC]C:302 |
1 |
1 |
307 |
f |
[NGA]C:300 |
x,y,z |
1_555 |
2 |
1 |
359 |
7.4 |
0.1 |
0.184 |
0 |
0 |
0 |
0.000 |
Average: |
7.8 |
0.1 |
0.179 |
0 |
0 |
0 |
0.000 |
36 |
72 |
|
[BGC]E:302 |
1 |
1 |
304 |
f |
[NGA]E:300 |
x,y,z |
1_555 |
1 |
1 |
360 |
1.5 |
0.0 |
0.154 |
0 |
0 |
0 |
0.000 |
37 |
73 |
|
[BGC]A:302 |
1 |
1 |
307 |
f |
[SIA]A:298 |
x,y,z |
1_555 |
1 |
1 |
435 |
0.8 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
74 |
|
[BGC]C:302 |
1 |
1 |
307 |
f |
[SIA]C:298 |
x,y,z |
1_555 |
1 |
1 |
433 |
0.5 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
Average: |
0.6 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
38 |
75 |
|
C |
1 |
1 |
14204 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
13974 |
0.5 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
|