| ## |
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 |
66 |
19 |
31228 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
30457 |
600.0 |
-5.7 |
0.354 |
5 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
66 |
19 |
31228 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
54 |
16 |
30457 |
527.1 |
-4.3 |
0.452 |
4 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
55 |
13 |
30457 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
56 |
15 |
31228 |
512.8 |
-7.6 |
0.139 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[4O2]A:908 |
30 |
1 |
617 |
f |
A |
x,y,z |
1_555 |
72 |
24 |
30457 |
457.1 |
2.0 |
0.323 |
2 |
0 |
0 |
0.000 |
5 |
|
[4O2]B:909 |
31 |
1 |
605 |
f |
B |
x,y,z |
1_555 |
75 |
25 |
31228 |
456.1 |
3.2 |
0.414 |
3 |
0 |
0 |
0.000 |
| Average: |
456.6 |
2.6 |
0.369 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
50 |
14 |
31228 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
45 |
12 |
30457 |
373.4 |
-6.0 |
0.155 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[4O2]B:910 |
31 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
31228 |
313.3 |
3.3 |
0.354 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[4O2]A:909 |
26 |
1 |
611 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
30457 |
289.0 |
1.3 |
0.256 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
32 |
10 |
31228 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
28 |
10 |
30457 |
257.7 |
-4.2 |
0.210 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NAG]A:901 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
28 |
12 |
30457 |
212.8 |
5.2 |
0.546 |
1 |
0 |
0 |
0.000 |
11 |
|
[NAG]B:901 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
29 |
12 |
31228 |
211.4 |
5.2 |
0.516 |
2 |
0 |
0 |
0.000 |
| Average: |
212.1 |
5.2 |
0.531 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
19 |
7 |
31228 |
f |
[4O2]A:909 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
21 |
1 |
611 |
154.1 |
1.7 |
0.288 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[4O2]B:910 |
13 |
1 |
605 |
◊ |
[4O2]A:909 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
17 |
1 |
611 |
127.2 |
1.5 |
0.110 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]A:911 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
30457 |
118.7 |
3.9 |
0.692 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
18 |
6 |
30457 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
13 |
4 |
30457 |
108.7 |
-1.6 |
0.367 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[4O2]B:910 |
10 |
1 |
605 |
f |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
13 |
3 |
30457 |
106.3 |
-0.6 |
0.141 |
0 |
0 |
0 |
0.001 |
| 15 |
17 |
|
[EDO]A:910 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
30457 |
102.8 |
2.4 |
0.383 |
3 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:911 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
31228 |
98.5 |
2.3 |
0.437 |
3 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[NAG]B:902 |
7 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
31228 |
84.1 |
1.5 |
0.347 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:902 |
7 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
30457 |
78.6 |
1.4 |
0.325 |
0 |
0 |
0 |
0.000 |
| Average: |
81.3 |
1.5 |
0.336 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]B:902 |
9 |
1 |
360 |
cf |
[NAG]B:901 |
x,y,z |
1_555 |
5 |
1 |
361 |
71.0 |
2.0 |
0.120 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:902 |
9 |
1 |
363 |
cf |
[NAG]A:901 |
x,y,z |
1_555 |
6 |
1 |
360 |
69.0 |
1.8 |
0.102 |
0 |
0 |
0 |
0.000 |
| Average: |
70.0 |
1.9 |
0.111 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[NA]B:908 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
31228 |
68.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.017 |
24 |
|
[NA]A:907 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
30457 |
62.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
65.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 20 |
25 |
|
[NA]A:906 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
30457 |
61.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.015 |
26 |
|
[NA]B:907 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
31228 |
61.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
61.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 21 |
27 |
|
[BMA]B:903 |
5 |
1 |
294 |
cf |
[NAG]B:902 |
x,y,z |
1_555 |
6 |
1 |
360 |
56.2 |
1.4 |
0.119 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[CA]A:905 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
30457 |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.021 |
29 |
|
[CA]B:906 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
31228 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 23 |
30 |
|
[ZN]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
30457 |
40.0 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.046 |
31 |
|
[ZN]B:904 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
31228 |
39.6 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
39.8 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| 24 |
32 |
|
[NA]A:907 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
4 |
3 |
31228 |
30.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[EDO]B:911 |
1 |
1 |
187 |
f |
[ZN]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 26 |
34 |
|
[EDO]A:910 |
2 |
1 |
186 |
f |
[ZN]A:903 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 27 |
35 |
|
[EDO]A:910 |
1 |
1 |
186 |
f |
[ZN]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.004 |
36 |
|
[EDO]B:911 |
1 |
1 |
187 |
f |
[ZN]B:905 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
3.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 28 |
37 |
|
[ZN]B:905 |
1 |
1 |
98 |
f |
[ZN]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 29 |
38 |
|
[ZN]A:904 |
1 |
1 |
98 |
f |
[ZN]A:903 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.006 |
|