## |
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 |
108 |
23 |
4906 |
◊ |
A |
x,y,z |
1_555 |
113 |
25 |
5175 |
1101.0 |
-4.1 |
0.733 |
22 |
0 |
0 |
0.718 |
2 |
|
F |
112 |
25 |
5106 |
◊ |
D |
x,y,z |
1_555 |
110 |
24 |
5247 |
1088.2 |
-6.3 |
0.702 |
20 |
0 |
0 |
0.718 |
3 |
|
G |
102 |
23 |
5232 |
◊ |
E |
x,y,z |
1_555 |
104 |
23 |
5032 |
1015.9 |
-5.7 |
0.670 |
21 |
0 |
0 |
0.718 |
Average: |
1068.4 |
-5.4 |
0.702 |
21 |
0 |
0 |
0.718 |
2 |
4 |
|
H |
94 |
23 |
4867 |
◊ |
C |
x,y,z |
1_555 |
104 |
22 |
4970 |
977.4 |
-6.8 |
0.655 |
19 |
0 |
0 |
1.000 |
5 |
|
I |
85 |
24 |
5149 |
◊ |
J |
x,y,z-1 |
1_554 |
83 |
21 |
4638 |
889.2 |
-9.3 |
0.594 |
12 |
0 |
0 |
1.000 |
Average: |
933.3 |
-8.1 |
0.625 |
16 |
0 |
0 |
1.000 |
3 |
6 |
|
H |
83 |
21 |
4867 |
◊ |
D |
x,y,z |
1_555 |
81 |
21 |
5247 |
854.0 |
-10.7 |
0.299 |
8 |
0 |
0 |
0.691 |
7 |
|
C |
74 |
23 |
4970 |
◊ |
A |
x,y,z |
1_555 |
71 |
19 |
5175 |
780.2 |
-5.2 |
0.618 |
6 |
0 |
0 |
0.691 |
Average: |
817.1 |
-7.9 |
0.458 |
7 |
0 |
0 |
0.691 |
4 |
8 |
|
I |
75 |
24 |
5149 |
◊ |
G |
x,y,z |
1_555 |
87 |
25 |
5232 |
842.0 |
-9.1 |
0.423 |
4 |
0 |
0 |
0.668 |
5 |
9 |
|
J |
62 |
19 |
4638 |
◊ |
F |
x,y,z |
1_555 |
65 |
19 |
5106 |
624.5 |
-8.8 |
0.465 |
3 |
0 |
0 |
0.100 |
6 |
10 |
|
E |
56 |
17 |
5032 |
◊ |
B |
x,y,z |
1_555 |
50 |
16 |
4906 |
531.2 |
-8.5 |
0.214 |
3 |
0 |
0 |
0.046 |
7 |
11 |
|
F |
30 |
7 |
5106 |
x |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
39 |
12 |
5106 |
309.6 |
-2.3 |
0.607 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
H |
26 |
8 |
4867 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
24 |
9 |
4906 |
238.3 |
-1.6 |
0.479 |
1 |
0 |
0 |
0.000 |
13 |
|
G |
27 |
9 |
5232 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
25 |
7 |
5106 |
227.7 |
-1.1 |
0.509 |
3 |
0 |
0 |
0.000 |
Average: |
233.0 |
-1.3 |
0.494 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
G |
17 |
3 |
5232 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
9 |
5247 |
224.5 |
-3.6 |
0.148 |
0 |
0 |
0 |
0.000 |
15 |
|
E |
21 |
8 |
5032 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
3 |
5106 |
183.0 |
-2.3 |
0.203 |
0 |
0 |
0 |
0.000 |
Average: |
203.8 |
-2.9 |
0.176 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
E |
30 |
9 |
5032 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
10 |
5247 |
214.3 |
-0.8 |
0.640 |
1 |
0 |
0 |
0.000 |
17 |
|
E |
25 |
8 |
5032 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
7 |
5247 |
193.1 |
-1.0 |
0.601 |
0 |
0 |
0 |
0.000 |
Average: |
203.7 |
-0.9 |
0.621 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
A |
22 |
9 |
5175 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
9 |
4970 |
205.5 |
-2.5 |
0.485 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
G |
22 |
6 |
5232 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
25 |
9 |
4867 |
201.4 |
-0.2 |
0.702 |
4 |
2 |
0 |
0.000 |
20 |
|
A |
22 |
7 |
5175 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
4 |
4906 |
194.1 |
-0.6 |
0.644 |
4 |
2 |
0 |
0.000 |
Average: |
197.7 |
-0.4 |
0.673 |
4 |
2 |
0 |
0.000 |
13 |
21 |
|
I |
18 |
5 |
5149 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
8 |
5175 |
195.6 |
-0.9 |
0.510 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
E |
21 |
8 |
5032 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
4 |
4867 |
167.6 |
-0.7 |
0.546 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
E |
19 |
6 |
5032 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
8 |
4638 |
165.5 |
-2.5 |
0.513 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
H |
15 |
5 |
4867 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
16 |
4 |
5149 |
121.6 |
-1.1 |
0.565 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
C |
13 |
4 |
4970 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
4906 |
121.5 |
0.0 |
0.683 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
G |
10 |
4 |
5232 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
5247 |
114.2 |
0.0 |
0.671 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
B |
11 |
2 |
4906 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
4970 |
109.8 |
-1.1 |
0.511 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
C |
12 |
4 |
4970 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
4638 |
102.4 |
-0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
A |
11 |
6 |
5175 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
4 |
4638 |
86.9 |
-1.4 |
0.538 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
I |
11 |
4 |
5149 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
4970 |
83.1 |
-1.9 |
0.392 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
C |
14 |
6 |
4970 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
4638 |
82.0 |
0.2 |
0.734 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
G |
10 |
2 |
5232 |
◊ |
I |
x-1,y,z |
1_455 |
7 |
3 |
5149 |
77.1 |
-0.8 |
0.498 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[AU]G:103 |
1 |
1 |
118 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
5232 |
69.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.375 |
34 |
|
[AU]C:105 |
1 |
1 |
118 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
4970 |
69.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.375 |
35 |
|
[AU]E:102 |
1 |
1 |
118 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
5032 |
67.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.375 |
36 |
|
[AU]D:101 |
1 |
1 |
118 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
5247 |
59.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.375 |
37 |
|
[AU]B:106 |
1 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
4906 |
58.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.375 |
38 |
|
[AU]A:107 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
5175 |
58.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.375 |
Average: |
63.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.375 |
26 |
39 |
|
B |
6 |
2 |
4906 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
3 |
5247 |
67.4 |
0.2 |
0.609 |
1 |
0 |
0 |
0.000 |
27 |
40 |
|
I |
7 |
3 |
5149 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4906 |
57.9 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
A |
6 |
1 |
5175 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
4970 |
56.0 |
-1.2 |
0.407 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
G |
6 |
2 |
5232 |
◊ |
F |
x,y,z-1 |
1_554 |
6 |
3 |
5106 |
54.0 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
A |
6 |
2 |
5175 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
4638 |
53.6 |
-0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
A |
9 |
3 |
5175 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
5175 |
52.5 |
-0.9 |
0.467 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
I |
7 |
2 |
5149 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
5032 |
48.4 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
[AU]E:108 |
1 |
1 |
118 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
5032 |
46.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[AU]E:108 |
1 |
1 |
118 |
◊ |
J |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
4638 |
44.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
45.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
J |
4 |
1 |
4638 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
5106 |
43.3 |
-1.2 |
0.347 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
J |
3 |
2 |
4638 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
4867 |
40.7 |
-1.1 |
0.272 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
J |
4 |
2 |
4638 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5247 |
38.6 |
0.5 |
0.793 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
E |
2 |
1 |
5032 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
4970 |
33.3 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
J |
3 |
1 |
4638 |
◊ |
I |
x-1,y,z+1 |
1_456 |
5 |
2 |
5149 |
32.0 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
B |
7 |
1 |
4906 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
4867 |
30.8 |
-0.9 |
0.316 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
E |
3 |
2 |
5032 |
f |
[AU]I:110 |
x-1,y,z |
1_455 |
1 |
1 |
118 |
28.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.043 |
41 |
55 |
|
E |
4 |
3 |
5032 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
4867 |
26.8 |
-0.9 |
0.368 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
I |
1 |
1 |
5149 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
5175 |
24.3 |
-0.8 |
0.197 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
H |
2 |
1 |
4867 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5106 |
24.2 |
0.5 |
0.369 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[AU]A:107 |
1 |
1 |
118 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4906 |
19.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.094 |
59 |
|
[AU]G:103 |
1 |
1 |
118 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5032 |
17.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.094 |
60 |
|
[AU]B:106 |
1 |
1 |
118 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5175 |
17.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.094 |
61 |
|
[AU]E:102 |
1 |
1 |
118 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
5232 |
14.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.094 |
62 |
|
[AU]C:105 |
1 |
1 |
118 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
4867 |
12.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.094 |
63 |
|
[AU]D:101 |
1 |
1 |
118 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5106 |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
15.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.094 |
45 |
64 |
|
H |
4 |
3 |
4867 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
5232 |
19.0 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
G |
3 |
1 |
5232 |
◊ |
[AU]I:110 |
x-1,y,z |
1_455 |
1 |
1 |
118 |
17.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.033 |
47 |
66 |
|
G |
4 |
2 |
5232 |
◊ |
J |
x,y,z-1 |
1_554 |
4 |
3 |
4638 |
16.8 |
-0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
E |
3 |
1 |
5032 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4970 |
16.0 |
0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
49 |
68 |
|
[AU]C:105 |
1 |
1 |
118 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5175 |
15.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
69 |
|
I |
5 |
3 |
5149 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
3 |
5247 |
14.7 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
51 |
70 |
|
C |
2 |
1 |
4970 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4906 |
14.5 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
71 |
|
E |
2 |
2 |
5032 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5175 |
8.8 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
11.7 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
52 |
72 |
|
[AU]A:111 |
1 |
1 |
118 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
4906 |
13.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[AU]J:112 |
1 |
1 |
118 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
4638 |
10.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[AU]H:109 |
1 |
1 |
118 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5106 |
3.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
75 |
|
[AU]H:109 |
1 |
1 |
118 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
4867 |
10.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.071 |
54 |
76 |
|
G |
1 |
1 |
5232 |
f |
[AU]J:112 |
x,y,z-1 |
1_554 |
1 |
1 |
118 |
5.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.021 |
55 |
77 |
|
[AU]H:104 |
1 |
1 |
118 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
4867 |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.029 |
56 |
78 |
|
A |
1 |
1 |
5175 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
4867 |
3.6 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
57 |
79 |
|
[AU]I:110 |
1 |
1 |
118 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
5247 |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
80 |
|
[AU]I:110 |
1 |
1 |
118 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
5149 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|