| ## |
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 |
208 |
60 |
25500 |
◊ |
A |
x,y,z |
1_555 |
211 |
60 |
25694 |
1935.6 |
-11.2 |
0.175 |
20 |
4 |
0 |
0.000 |
| 2 |
2 |
|
A |
60 |
22 |
25694 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
64 |
16 |
25500 |
509.7 |
1.3 |
0.705 |
7 |
1 |
0 |
0.000 |
| 3 |
3 |
|
A |
44 |
14 |
25694 |
◊ |
B |
x,y-1,z-1 |
1_544 |
48 |
20 |
25500 |
395.6 |
0.8 |
0.676 |
5 |
0 |
0 |
0.000 |
4 |
|
A |
48 |
19 |
25694 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
12 |
25500 |
391.8 |
1.2 |
0.715 |
4 |
0 |
0 |
0.000 |
| Average: |
393.7 |
1.0 |
0.695 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
30 |
11 |
25500 |
x |
B |
x,y-1,z |
1_545 |
22 |
8 |
25500 |
211.4 |
4.5 |
0.870 |
2 |
2 |
0 |
0.000 |
6 |
|
A |
16 |
7 |
25694 |
x |
A |
x,y-1,z |
1_545 |
18 |
7 |
25694 |
162.5 |
3.3 |
0.823 |
1 |
0 |
0 |
0.000 |
| Average: |
187.0 |
3.9 |
0.847 |
2 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
14 |
3 |
25694 |
x |
A |
x-1,y,z |
1_455 |
20 |
6 |
25694 |
161.8 |
0.3 |
0.516 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]B:1716 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
25500 |
109.3 |
4.5 |
0.718 |
1 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:1716 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
25694 |
108.8 |
4.5 |
0.708 |
2 |
0 |
0 |
0.000 |
| Average: |
109.1 |
4.5 |
0.713 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]B:1718 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
25500 |
105.8 |
3.7 |
0.507 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:1715 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
25694 |
105.6 |
3.6 |
0.490 |
3 |
0 |
0 |
0.000 |
| Average: |
105.7 |
3.7 |
0.499 |
3 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[EDO]B:1713 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
25500 |
105.1 |
3.0 |
0.538 |
4 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[EDO]A:1713 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
25694 |
104.8 |
3.9 |
0.682 |
4 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[EDO]B:1715 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
25500 |
98.6 |
2.9 |
0.472 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[EDO]A:1718 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
25694 |
95.3 |
3.0 |
0.315 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[EDO]B:1714 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
25500 |
94.8 |
2.8 |
0.445 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:1714 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
25694 |
94.6 |
2.8 |
0.447 |
3 |
0 |
0 |
0.000 |
| Average: |
94.7 |
2.8 |
0.446 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
B |
8 |
2 |
25500 |
x |
B |
x-1,y-1,z |
1_445 |
9 |
4 |
25500 |
77.0 |
-0.3 |
0.457 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[CO]B:1720 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
25500 |
73.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.035 |
20 |
|
[CO]A:1720 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
25694 |
73.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
73.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 15 |
21 |
|
[EDO]A:1717 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
25694 |
72.0 |
1.5 |
0.171 |
2 |
0 |
0 |
0.000 |
| 16 |
22 |
|
A |
12 |
6 |
25694 |
◊ |
[EDO]B:1717 |
x-1,y-1,z-1 |
1_444 |
4 |
1 |
184 |
72.0 |
2.5 |
0.270 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[CO]B:1719 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
25500 |
70.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
|
[CO]A:1719 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
25694 |
70.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
70.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.030 |
| 18 |
25 |
|
[CO]A:1721 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
25694 |
69.3 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
|
[CO]B:1722 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
25500 |
68.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
68.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 19 |
27 |
|
[MG]A:1723 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
25694 |
66.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.018 |
28 |
|
[MG]B:1723 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
25500 |
65.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
66.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 20 |
29 |
|
[EDO]A:1717 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
25500 |
63.2 |
1.7 |
0.253 |
2 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[CO]A:1722 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
25694 |
62.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.025 |
31 |
|
[CO]B:1721 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
25500 |
62.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
62.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 22 |
32 |
|
[EDO]B:1717 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
25500 |
49.2 |
1.0 |
0.607 |
1 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[EDO]B:1718 |
3 |
1 |
183 |
f |
[EDO]B:1713 |
x,y,z |
1_555 |
2 |
1 |
184 |
23.8 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[EDO]A:1715 |
3 |
1 |
183 |
f |
[EDO]A:1713 |
x,y,z |
1_555 |
2 |
1 |
183 |
23.8 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[CO]B:1721 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
25694 |
10.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[CO]A:1722 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
25500 |
10.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
10.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
A |
1 |
1 |
25694 |
f |
[EDO]B:1715 |
x,y,z-1 |
1_554 |
1 |
1 |
183 |
3.9 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
A |
3 |
2 |
25694 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
25500 |
3.9 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|