## |
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 |
16 |
15650 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
52 |
17 |
15650 |
460.2 |
3.2 |
0.857 |
3 |
4 |
0 |
0.000 |
2 |
2 |
|
A |
41 |
14 |
15650 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
41 |
17 |
15650 |
363.8 |
0.5 |
0.690 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
17 |
7 |
15650 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
15650 |
147.9 |
1.6 |
0.803 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[EDO]A:411 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
15650 |
127.8 |
4.0 |
0.680 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
[GLC]A:401 |
10 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
15650 |
125.9 |
2.9 |
0.405 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[GLC]A:408 |
10 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
23 |
11 |
15650 |
118.0 |
1.6 |
0.354 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
8 |
2 |
15650 |
x |
A |
x-1,y,z |
1_455 |
17 |
7 |
15650 |
114.0 |
0.9 |
0.763 |
1 |
2 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:415 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
15650 |
112.8 |
2.9 |
0.440 |
4 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:417 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
15650 |
102.6 |
3.4 |
0.455 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:419 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
15650 |
102.1 |
3.5 |
0.502 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]A:418 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15650 |
101.6 |
2.8 |
0.405 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:414 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15650 |
100.5 |
3.4 |
0.502 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:412 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15650 |
96.9 |
3.6 |
0.515 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[GLC]A:405 |
11 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
15650 |
95.3 |
1.7 |
0.451 |
0 |
0 |
0 |
0.000 |
15 |
|
[GLC]A:402 |
11 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
15650 |
92.3 |
1.7 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
93.8 |
1.7 |
0.441 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:416 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15650 |
89.8 |
2.3 |
0.401 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:413 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
15650 |
88.5 |
2.9 |
0.454 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[GLC]A:406 |
11 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
15650 |
87.0 |
1.3 |
0.380 |
1 |
0 |
0 |
0.000 |
19 |
|
[GLC]A:403 |
11 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
15650 |
86.4 |
1.3 |
0.393 |
1 |
0 |
0 |
0.000 |
Average: |
86.7 |
1.3 |
0.386 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[GLC]A:407 |
9 |
1 |
295 |
f |
[GLC]A:404 |
x,y,z |
1_555 |
10 |
1 |
304 |
82.0 |
2.5 |
0.233 |
0 |
0 |
0 |
0.000 |
21 |
|
[GLC]A:405 |
11 |
1 |
293 |
f |
[GLC]A:402 |
x,y,z |
1_555 |
11 |
1 |
295 |
72.4 |
2.2 |
0.177 |
0 |
0 |
0 |
0.000 |
22 |
|
[GLC]A:406 |
10 |
1 |
295 |
f |
[GLC]A:403 |
x,y,z |
1_555 |
10 |
1 |
295 |
65.3 |
2.0 |
0.173 |
0 |
0 |
0 |
0.000 |
Average: |
73.2 |
2.2 |
0.194 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[GLC]A:404 |
11 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
15650 |
81.9 |
0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
24 |
|
[GLC]A:407 |
10 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
15650 |
79.8 |
1.0 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
80.9 |
0.9 |
0.315 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]A:409 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
5 |
15650 |
75.3 |
1.6 |
0.257 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:410 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15650 |
74.1 |
1.9 |
0.804 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[CL]A:422 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15650 |
71.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.490 |
23 |
28 |
|
[EDO]A:410 |
3 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
4 |
15650 |
58.1 |
2.0 |
0.251 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[CL]A:421 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15650 |
54.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.308 |
25 |
30 |
|
[CL]A:420 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15650 |
54.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.272 |
26 |
31 |
|
[GLC]A:408 |
6 |
1 |
303 |
cf |
[GLC]A:404 |
x,y,z |
1_555 |
9 |
1 |
304 |
53.0 |
0.9 |
0.120 |
0 |
0 |
0 |
0.000 |
32 |
|
[GLC]A:408 |
5 |
1 |
303 |
cf |
[GLC]A:407 |
x,y,z |
1_555 |
8 |
1 |
295 |
50.2 |
1.1 |
0.152 |
0 |
0 |
0 |
0.000 |
Average: |
51.6 |
1.0 |
0.136 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]A:409 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15650 |
49.5 |
1.2 |
0.618 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
A |
9 |
4 |
15650 |
◊ |
[CL]A:420 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
48.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[GLC]A:405 |
7 |
1 |
293 |
cf |
[GLC]A:401 |
x,y,z |
1_555 |
7 |
1 |
292 |
47.9 |
1.6 |
0.116 |
0 |
0 |
0 |
0.000 |
36 |
|
[GLC]A:402 |
6 |
1 |
295 |
cf |
[GLC]A:401 |
x,y,z |
1_555 |
7 |
1 |
292 |
47.1 |
1.7 |
0.148 |
0 |
0 |
0 |
0.000 |
Average: |
47.5 |
1.6 |
0.132 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[GLC]A:407 |
7 |
1 |
295 |
cf |
[GLC]A:406 |
x,y,z |
1_555 |
6 |
1 |
295 |
36.5 |
0.8 |
0.121 |
0 |
0 |
0 |
0.000 |
38 |
|
[GLC]A:407 |
7 |
1 |
295 |
cf |
[GLC]A:403 |
x,y,z |
1_555 |
6 |
1 |
295 |
36.2 |
0.8 |
0.128 |
0 |
0 |
0 |
0.000 |
39 |
|
[GLC]A:406 |
6 |
1 |
295 |
cf |
[GLC]A:404 |
x,y,z |
1_555 |
7 |
1 |
304 |
35.6 |
0.8 |
0.145 |
0 |
0 |
0 |
0.000 |
40 |
|
[GLC]A:404 |
7 |
1 |
304 |
cf |
[GLC]A:403 |
x,y,z |
1_555 |
6 |
1 |
295 |
35.4 |
0.8 |
0.152 |
0 |
0 |
0 |
0.000 |
41 |
|
[GLC]A:406 |
7 |
1 |
295 |
cf |
[GLC]A:405 |
x,y,z |
1_555 |
6 |
1 |
293 |
33.7 |
0.8 |
0.140 |
0 |
0 |
0 |
0.000 |
42 |
|
[GLC]A:405 |
6 |
1 |
293 |
cf |
[GLC]A:403 |
x,y,z |
1_555 |
7 |
1 |
295 |
33.5 |
0.8 |
0.141 |
0 |
0 |
0 |
0.000 |
43 |
|
[GLC]A:406 |
7 |
1 |
295 |
cf |
[GLC]A:402 |
x,y,z |
1_555 |
6 |
1 |
295 |
32.4 |
0.8 |
0.129 |
0 |
0 |
0 |
0.000 |
44 |
|
[GLC]A:403 |
7 |
1 |
295 |
cf |
[GLC]A:402 |
x,y,z |
1_555 |
6 |
1 |
295 |
32.3 |
0.8 |
0.131 |
0 |
0 |
0 |
0.000 |
Average: |
34.4 |
0.8 |
0.136 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[CL]A:421 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
15650 |
29.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[EDO]A:410 |
2 |
1 |
184 |
f |
[EDO]A:409 |
x,y,z |
1_555 |
1 |
1 |
183 |
21.1 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
A |
5 |
2 |
15650 |
f |
[EDO]A:413 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
184 |
18.9 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
A |
3 |
3 |
15650 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
3 |
15650 |
12.4 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[EDO]A:419 |
2 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
15650 |
8.6 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[EDO]A:412 |
1 |
1 |
184 |
f |
[EDO]A:411 |
x,y,z |
1_555 |
2 |
1 |
185 |
8.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[GLC]A:408 |
2 |
1 |
303 |
f |
[GLC]A:403 |
x,y,z |
1_555 |
2 |
1 |
295 |
5.3 |
0.2 |
0.264 |
0 |
0 |
0 |
0.000 |
52 |
|
[GLC]A:408 |
2 |
1 |
303 |
f |
[GLC]A:406 |
x,y,z |
1_555 |
2 |
1 |
295 |
5.2 |
0.2 |
0.264 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
0.2 |
0.264 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[GLC]A:403 |
1 |
1 |
295 |
f |
[GLC]A:401 |
x,y,z |
1_555 |
1 |
1 |
292 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
54 |
|
[GLC]A:406 |
1 |
1 |
295 |
f |
[GLC]A:401 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.9 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[GLC]A:408 |
1 |
1 |
303 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
15650 |
1.1 |
0.1 |
0.358 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[GLC]A:405 |
1 |
1 |
293 |
f |
[GLC]A:404 |
x,y,z |
1_555 |
1 |
1 |
304 |
1.0 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
57 |
|
[GLC]A:407 |
1 |
1 |
295 |
f |
[GLC]A:405 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
58 |
|
[GLC]A:407 |
1 |
1 |
295 |
f |
[GLC]A:402 |
x,y,z |
1_555 |
1 |
1 |
295 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
59 |
|
[GLC]A:404 |
1 |
1 |
304 |
f |
[GLC]A:402 |
x,y,z |
1_555 |
1 |
1 |
295 |
0.9 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
Average: |
1.0 |
0.0 |
0.178 |
0 |
0 |
0 |
0.000 |
|