## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
366 |
91 |
14761 |
◊ |
A |
x,y,z |
1_555 |
383 |
101 |
20045 |
3697.0 |
-62.3 |
0.295 |
26 |
6 |
0 |
0.470 |
2 |
|
D |
104 |
29 |
5777 |
◊ |
C |
x,y,z |
1_555 |
114 |
23 |
6162 |
922.8 |
-15.3 |
0.101 |
10 |
0 |
0 |
1.000 |
3 |
|
[HEA]A:562 |
60 |
1 |
1130 |
f |
A |
x,y,z |
1_555 |
115 |
44 |
20045 |
855.1 |
-22.7 |
0.664 |
8 |
0 |
0 |
0.165 |
4 |
|
[HEA]A:563 |
60 |
1 |
1166 |
f |
A |
x,y,z |
1_555 |
117 |
38 |
20045 |
799.7 |
-24.2 |
0.651 |
6 |
0 |
0 |
0.169 |
5 |
|
C |
41 |
13 |
6162 |
◊ |
B |
x,y,z |
1_555 |
39 |
15 |
14761 |
379.9 |
-0.9 |
0.727 |
7 |
1 |
0 |
0.000 |
6 |
|
[LDA]A:566 |
15 |
1 |
519 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
20045 |
351.2 |
2.2 |
0.560 |
0 |
0 |
0 |
0.000 |
7 |
|
D |
36 |
11 |
5777 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
14761 |
336.4 |
-0.9 |
0.819 |
6 |
0 |
0 |
0.000 |
8 |
|
A |
41 |
13 |
20045 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
11 |
14761 |
326.9 |
-2.6 |
0.833 |
1 |
0 |
0 |
0.000 |
9 |
|
[LDA]A:564 |
13 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
38 |
11 |
20045 |
232.6 |
-0.2 |
0.345 |
0 |
0 |
0 |
0.001 |
10 |
|
[LDA]A:567 |
15 |
1 |
521 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
20045 |
221.9 |
2.4 |
0.488 |
0 |
0 |
0 |
0.000 |
11 |
|
[LDA]A:568 |
15 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
31 |
8 |
20045 |
219.2 |
2.6 |
0.561 |
1 |
0 |
0 |
0.000 |
12 |
|
[LDA]A:565 |
14 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
14761 |
216.0 |
-0.2 |
0.240 |
0 |
0 |
0 |
0.032 |
13 |
|
[LDA]B:274 |
14 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
14761 |
206.1 |
-0.5 |
0.216 |
0 |
0 |
0 |
0.068 |
14 |
|
B |
17 |
5 |
14761 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
7 |
14761 |
199.1 |
0.0 |
0.803 |
3 |
2 |
0 |
0.000 |
15 |
|
B |
14 |
3 |
14761 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
19 |
6 |
6162 |
168.5 |
-0.3 |
0.705 |
3 |
0 |
0 |
0.000 |
16 |
|
[LDA]B:273 |
14 |
1 |
516 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
20045 |
165.3 |
-1.1 |
0.235 |
0 |
0 |
0 |
0.007 |
17 |
|
[LDA]B:272 |
8 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20045 |
134.9 |
0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
18 |
|
[LDA]B:272 |
12 |
1 |
507 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14761 |
131.7 |
2.1 |
0.305 |
0 |
0 |
0 |
0.000 |
19 |
|
[LDA]A:565 |
10 |
1 |
517 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
20045 |
127.9 |
1.1 |
0.465 |
0 |
0 |
0 |
0.000 |
20 |
|
[HEA]A:563 |
7 |
1 |
1166 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
14761 |
126.8 |
-1.0 |
0.485 |
0 |
0 |
0 |
0.006 |
21 |
|
[LDA]B:274 |
9 |
1 |
517 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
20045 |
98.9 |
0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
22 |
|
[LDA]B:272 |
7 |
1 |
507 |
f |
[LDA]A:569 |
x,y,z |
1_555 |
11 |
1 |
533 |
91.0 |
3.0 |
0.232 |
0 |
0 |
0 |
0.000 |
23 |
|
[LDA]B:273 |
7 |
1 |
516 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14761 |
82.5 |
0.4 |
0.306 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
6 |
4 |
5777 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
6162 |
72.5 |
0.1 |
0.648 |
1 |
0 |
0 |
0.000 |
25 |
|
[LDA]B:273 |
6 |
1 |
516 |
f |
[LDA]A:569 |
x,y,z |
1_555 |
6 |
1 |
533 |
67.6 |
2.7 |
0.332 |
0 |
0 |
0 |
0.000 |
26 |
|
[LDA]A:569 |
6 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20045 |
61.3 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.004 |
27 |
|
[CU]A:559 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20045 |
50.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.056 |
28 |
|
[CA]A:561 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
20045 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.080 |
29 |
|
[LDA]A:564 |
5 |
1 |
497 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14761 |
40.7 |
0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
30 |
|
[MG]A:560 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20045 |
37.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.036 |
31 |
|
[CU]B:271 |
1 |
1 |
125 |
f |
[CU]B:270 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.046 |
32 |
|
[LDA]A:566 |
4 |
1 |
519 |
f |
[HEA]A:562 |
x,y,z |
1_555 |
2 |
1 |
1130 |
35.8 |
0.9 |
0.517 |
0 |
0 |
0 |
0.000 |
33 |
|
[MG]A:560 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14761 |
34.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.027 |
34 |
|
[LDA]A:569 |
6 |
1 |
533 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14761 |
34.4 |
0.2 |
0.119 |
0 |
0 |
0 |
0.000 |
35 |
|
[HEA]A:563 |
19 |
1 |
1166 |
f |
[CU]A:559 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.025 |
36 |
|
[HEA]A:563 |
3 |
1 |
1166 |
f |
[HEA]A:562 |
x,y,z |
1_555 |
6 |
1 |
1130 |
33.5 |
-1.8 |
0.482 |
0 |
0 |
0 |
0.012 |
37 |
|
A |
3 |
1 |
20045 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
6162 |
31.9 |
0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
38 |
|
[CU]B:270 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
20045 |
7.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
|