## |
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 |
72 |
20 |
13696 |
◊ |
A |
x,y,z |
1_555 |
71 |
20 |
13724 |
669.7 |
-4.9 |
0.257 |
8 |
12 |
0 |
0.000 |
2 |
2 |
|
A |
60 |
20 |
13724 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
65 |
20 |
13696 |
532.4 |
0.2 |
0.668 |
9 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
47 |
16 |
13696 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
11 |
13724 |
342.5 |
-1.6 |
0.446 |
6 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
25 |
10 |
13696 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
26 |
6 |
13724 |
215.9 |
-1.7 |
0.400 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
21 |
6 |
13696 |
x |
B |
x-1,y,z |
1_455 |
17 |
3 |
13696 |
167.4 |
-0.2 |
0.571 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
18 |
6 |
13696 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
4 |
13724 |
157.6 |
-1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[NAG]B:404 |
12 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
13696 |
156.6 |
2.8 |
0.306 |
0 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:404 |
12 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
13724 |
152.4 |
2.8 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
154.5 |
2.8 |
0.299 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[NAG]A:402 |
14 |
1 |
363 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
25 |
8 |
13696 |
150.6 |
2.2 |
0.233 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[NAG]A:405 |
11 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
13724 |
136.9 |
4.1 |
0.507 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAG]B:405 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
13696 |
130.2 |
3.8 |
0.422 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:414 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13696 |
126.8 |
4.7 |
0.583 |
6 |
0 |
0 |
0.000 |
12 |
13 |
|
[NAG]A:402 |
11 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
20 |
6 |
13724 |
122.4 |
3.0 |
0.366 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
A |
17 |
9 |
13724 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
6 |
13696 |
119.2 |
-1.3 |
0.370 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:415 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
13696 |
115.4 |
4.5 |
0.546 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:419 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
13724 |
114.6 |
3.2 |
0.463 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:416 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
13696 |
113.5 |
3.2 |
0.460 |
2 |
0 |
0 |
0.000 |
Average: |
114.1 |
3.2 |
0.461 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
A |
14 |
5 |
13724 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
13724 |
113.9 |
-0.2 |
0.601 |
0 |
1 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13696 |
113.7 |
2.7 |
0.404 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]A:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
13724 |
113.5 |
2.7 |
0.407 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
13724 |
113.2 |
4.8 |
0.581 |
5 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:409 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
13696 |
112.8 |
4.8 |
0.577 |
5 |
0 |
0 |
0.000 |
Average: |
113.0 |
4.8 |
0.579 |
5 |
0 |
0 |
0.000 |
20 |
23 |
|
[NAG]A:403 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
12 |
3 |
13724 |
107.5 |
3.6 |
0.505 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:403 |
8 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
11 |
3 |
13696 |
95.9 |
2.9 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
101.7 |
3.2 |
0.503 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[NAG]B:402 |
10 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
14 |
7 |
13696 |
107.4 |
3.2 |
0.429 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]A:406 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
13724 |
106.9 |
4.0 |
0.666 |
6 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:407 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
13696 |
105.5 |
4.0 |
0.662 |
4 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]B:408 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
13696 |
103.9 |
3.6 |
0.460 |
3 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:410 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13724 |
103.3 |
3.5 |
0.465 |
3 |
0 |
0 |
0.000 |
Average: |
103.6 |
3.5 |
0.462 |
3 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]A:411 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13724 |
102.1 |
3.1 |
0.493 |
3 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]B:411 |
4 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13696 |
101.6 |
3.0 |
0.390 |
2 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]A:413 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
13724 |
100.3 |
3.0 |
0.356 |
2 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:417 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13696 |
97.6 |
2.8 |
0.420 |
2 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:420 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
13724 |
93.2 |
2.6 |
0.615 |
2 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]A:407 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13724 |
92.2 |
1.8 |
0.176 |
3 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]A:412 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
13724 |
91.9 |
3.3 |
0.480 |
2 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]B:410 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
13696 |
89.2 |
3.2 |
0.474 |
2 |
0 |
0 |
0.000 |
33 |
38 |
|
[NAG]B:401 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
13696 |
88.1 |
2.7 |
0.491 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[NAG]A:401 |
8 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
13724 |
86.8 |
2.5 |
0.426 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]B:412 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13696 |
84.0 |
1.8 |
0.234 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]A:417 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13724 |
83.8 |
2.1 |
0.414 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
[EDO]B:413 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
13696 |
81.6 |
2.5 |
0.452 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[NAG]A:404 |
6 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13696 |
78.5 |
1.4 |
0.368 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]B:404 |
6 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13724 |
75.5 |
1.4 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
77.0 |
1.4 |
0.349 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]A:414 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
13696 |
78.3 |
1.8 |
0.201 |
1 |
0 |
0 |
0.000 |
40 |
46 |
|
[NAG]A:405 |
9 |
1 |
354 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
13724 |
77.8 |
0.2 |
0.152 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[EDO]A:416 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13696 |
77.5 |
1.5 |
0.169 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[EDO]A:414 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13724 |
77.3 |
1.7 |
0.259 |
4 |
0 |
0 |
0.000 |
43 |
49 |
|
[EDO]A:415 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13724 |
75.9 |
1.8 |
0.238 |
1 |
0 |
0 |
0.000 |
44 |
50 |
|
[EDO]A:416 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
13724 |
75.9 |
1.6 |
0.176 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[EDO]A:418 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
13724 |
74.8 |
1.7 |
0.250 |
1 |
0 |
0 |
0.000 |
46 |
52 |
|
B |
16 |
9 |
13696 |
◊ |
[EDO]A:415 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
74.7 |
2.3 |
0.302 |
1 |
0 |
0 |
0.000 |
47 |
53 |
|
[NAG]A:403 |
8 |
1 |
360 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
10 |
4 |
13696 |
74.2 |
2.1 |
0.424 |
1 |
0 |
0 |
0.000 |
48 |
54 |
|
[EDO]A:417 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13696 |
70.1 |
1.4 |
0.709 |
1 |
0 |
0 |
0.000 |
49 |
55 |
|
A |
11 |
7 |
13724 |
◊ |
[NAG]B:401 |
-x-3/2,-y,z-1/2 |
2_354 |
5 |
1 |
361 |
58.9 |
0.9 |
0.365 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
[EDO]A:421 |
4 |
1 |
186 |
f |
[NAG]B:404 |
x,y,z |
1_555 |
6 |
1 |
364 |
53.9 |
2.2 |
0.442 |
1 |
0 |
0 |
0.000 |
51 |
57 |
|
[EDO]A:420 |
4 |
1 |
187 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
8 |
3 |
13696 |
47.7 |
1.2 |
0.902 |
1 |
0 |
0 |
0.000 |
52 |
58 |
|
[NAG]A:403 |
5 |
1 |
360 |
◊ |
[NAG]B:403 |
-x-3/2,-y,z-1/2 |
2_354 |
6 |
1 |
361 |
44.6 |
0.6 |
0.096 |
1 |
0 |
0 |
0.000 |
53 |
59 |
|
[EDO]B:412 |
3 |
1 |
180 |
f |
[NAG]A:404 |
x,y,z |
1_555 |
6 |
1 |
366 |
43.2 |
1.8 |
0.366 |
1 |
0 |
0 |
0.000 |
54 |
60 |
|
A |
5 |
2 |
13724 |
f |
[EDO]B:410 |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
1 |
181 |
40.0 |
0.6 |
0.555 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[EDO]A:418 |
3 |
1 |
184 |
f |
[NAG]B:404 |
x,y,z |
1_555 |
4 |
1 |
364 |
36.5 |
0.3 |
0.250 |
2 |
0 |
0 |
0.000 |
56 |
62 |
|
[NAG]A:401 |
3 |
1 |
359 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
2 |
13696 |
34.6 |
0.9 |
0.555 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[NAG]A:401 |
1 |
1 |
359 |
◊ |
[NAG]B:401 |
-x-3/2,-y,z-1/2 |
2_354 |
4 |
1 |
361 |
33.2 |
0.6 |
0.201 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[EDO]A:421 |
3 |
1 |
186 |
f |
[EDO]A:418 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.2 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
59 |
65 |
|
[EDO]B:417 |
4 |
1 |
182 |
f |
[EDO]B:406 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.3 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[EDO]B:412 |
2 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
13724 |
26.8 |
0.3 |
0.306 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[NAG]A:403 |
1 |
1 |
360 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
1 |
1 |
363 |
23.3 |
1.5 |
0.786 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
A |
1 |
1 |
13724 |
◊ |
[NAG]B:403 |
-x-3/2,-y,z-1/2 |
2_354 |
2 |
1 |
361 |
21.0 |
0.5 |
0.460 |
1 |
0 |
0 |
0.000 |
63 |
69 |
|
[EDO]A:413 |
2 |
1 |
184 |
f |
[EDO]A:407 |
x,y,z |
1_555 |
3 |
1 |
182 |
17.4 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[EDO]B:415 |
1 |
1 |
182 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
2 |
1 |
357 |
16.1 |
0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[EDO]A:421 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13724 |
8.0 |
0.3 |
0.905 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
B |
2 |
1 |
13696 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
13696 |
6.0 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
[EDO]A:420 |
1 |
1 |
187 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
1 |
1 |
363 |
5.9 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
[EDO]B:414 |
1 |
1 |
186 |
f |
[EDO]B:406 |
x,y,z |
1_555 |
1 |
1 |
183 |
4.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[EDO]A:421 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13696 |
4.1 |
0.1 |
0.890 |
0 |
0 |
0 |
0.000 |
70 |
76 |
|
B |
1 |
1 |
13696 |
◊ |
[NAG]B:402 |
-x-2,y-1/2,-z+1/2 |
3_345 |
2 |
1 |
357 |
2.0 |
0.0 |
0.283 |
0 |
0 |
0 |
0.000 |
71 |
77 |
|
[EDO]B:417 |
1 |
1 |
182 |
f |
[EDO]B:416 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
72 |
78 |
|
[EDO]A:411 |
1 |
1 |
183 |
f |
[NAG]A:405 |
x,y,z |
1_555 |
1 |
1 |
354 |
0.8 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
|