| ## |
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 |
304 |
75 |
14736 |
◊ |
A |
x,y,z |
1_555 |
303 |
75 |
15227 |
2895.8 |
-44.2 |
0.001 |
9 |
3 |
0 |
0.404 |
2 |
|
D |
303 |
75 |
14915 |
◊ |
C |
x,y,z |
1_555 |
307 |
74 |
14695 |
2890.0 |
-44.0 |
0.001 |
10 |
3 |
0 |
0.404 |
| Average: |
2892.9 |
-44.1 |
0.001 |
10 |
3 |
0 |
0.404 |
| 2 |
3 |
|
B |
44 |
11 |
14736 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
52 |
18 |
15227 |
427.4 |
-1.0 |
0.634 |
2 |
1 |
0 |
0.000 |
4 |
|
C |
35 |
10 |
14695 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
16 |
14915 |
364.3 |
-1.4 |
0.556 |
2 |
1 |
0 |
0.000 |
| Average: |
395.8 |
-1.2 |
0.595 |
2 |
1 |
0 |
0.000 |
| 3 |
5 |
|
C |
36 |
10 |
14695 |
◊ |
B |
x-1,y,z-1 |
1_454 |
43 |
13 |
14736 |
311.9 |
2.6 |
0.880 |
2 |
5 |
0 |
0.000 |
| 4 |
6 |
|
A |
39 |
11 |
15227 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
10 |
15227 |
289.6 |
-5.3 |
0.102 |
0 |
2 |
0 |
0.000 |
7 |
|
D |
20 |
5 |
14915 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
14915 |
198.5 |
-2.0 |
0.350 |
0 |
2 |
0 |
0.000 |
| Average: |
244.0 |
-3.6 |
0.226 |
0 |
2 |
0 |
0.000 |
| 5 |
8 |
|
[1DF]D:402 |
15 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
14915 |
210.6 |
-3.7 |
0.348 |
4 |
0 |
0 |
0.090 |
9 |
|
[1DF]A:402 |
15 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
15227 |
210.3 |
-3.7 |
0.363 |
4 |
0 |
0 |
0.090 |
10 |
|
[1DF]B:402 |
15 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
14736 |
209.9 |
-4.0 |
0.289 |
4 |
0 |
0 |
0.090 |
11 |
|
[1DF]C:402 |
15 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
34 |
15 |
14695 |
209.5 |
-3.7 |
0.341 |
4 |
0 |
0 |
0.090 |
| Average: |
210.1 |
-3.8 |
0.335 |
4 |
0 |
0 |
0.090 |
| 6 |
12 |
|
D |
30 |
10 |
14915 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
9 |
14695 |
205.9 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
28 |
10 |
15227 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
25 |
10 |
14736 |
197.9 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| Average: |
201.9 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
C |
26 |
8 |
14695 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
22 |
6 |
14736 |
190.3 |
0.4 |
0.569 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
C |
19 |
7 |
14695 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
15227 |
160.8 |
2.8 |
0.899 |
2 |
5 |
0 |
0.000 |
16 |
|
D |
20 |
7 |
14915 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
6 |
14736 |
136.6 |
0.3 |
0.536 |
2 |
1 |
0 |
0.000 |
| Average: |
148.7 |
1.5 |
0.717 |
2 |
3 |
0 |
0.000 |
| 9 |
17 |
|
[GOL]D:403 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
14915 |
123.6 |
-0.2 |
0.596 |
2 |
0 |
0 |
0.009 |
| 10 |
18 |
|
[GOL]C:403 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
14695 |
123.2 |
-0.3 |
0.552 |
2 |
0 |
0 |
0.010 |
19 |
|
[GOL]B:403 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14736 |
122.4 |
-0.3 |
0.546 |
2 |
0 |
0 |
0.010 |
| Average: |
122.8 |
-0.3 |
0.549 |
2 |
0 |
0 |
0.010 |
| 11 |
20 |
|
B |
18 |
4 |
14736 |
f |
[GOL]A:404 |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
1 |
220 |
116.7 |
-0.2 |
0.596 |
3 |
0 |
0 |
0.012 |
| 12 |
21 |
|
[GOL]C:404 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
14695 |
116.6 |
-0.2 |
0.593 |
3 |
0 |
0 |
0.012 |
| 13 |
22 |
|
[GOL]A:403 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
15227 |
116.2 |
-0.5 |
0.575 |
2 |
0 |
0 |
0.011 |
| 14 |
23 |
|
[ACT]A:408 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15227 |
105.7 |
-0.6 |
0.619 |
1 |
0 |
0 |
0.008 |
| 15 |
24 |
|
C |
11 |
5 |
14695 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
14915 |
87.2 |
0.9 |
0.760 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
11 |
5 |
14736 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
4 |
15227 |
87.2 |
0.8 |
0.746 |
0 |
0 |
0 |
0.000 |
| Average: |
87.2 |
0.8 |
0.753 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[CL]C:406 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
14695 |
70.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.074 |
| 17 |
27 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
14915 |
66.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.089 |
28 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15227 |
65.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
65.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.089 |
| 18 |
29 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14915 |
63.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.082 |
30 |
|
[CL]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15227 |
62.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
62.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.082 |
| 19 |
31 |
|
[1DF]A:402 |
7 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14736 |
62.0 |
-1.1 |
0.558 |
1 |
0 |
0 |
0.025 |
32 |
|
[1DF]D:402 |
7 |
1 |
357 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
14695 |
62.0 |
-1.0 |
0.557 |
1 |
0 |
0 |
0.025 |
33 |
|
[1DF]B:402 |
7 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15227 |
61.4 |
-1.1 |
0.556 |
1 |
0 |
0 |
0.025 |
34 |
|
[1DF]C:402 |
7 |
1 |
356 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
14915 |
61.3 |
-1.1 |
0.554 |
1 |
0 |
0 |
0.025 |
| Average: |
61.7 |
-1.0 |
0.556 |
1 |
0 |
0 |
0.025 |
| 20 |
35 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15227 |
60.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.070 |
| 21 |
36 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14736 |
53.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.061 |
37 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
14695 |
53.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
53.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| 22 |
38 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
14915 |
51.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15227 |
51.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
40 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14736 |
50.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
41 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
14695 |
50.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
50.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
| 23 |
42 |
|
[CL]B:404 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15227 |
41.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
43 |
|
[CL]C:405 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14915 |
41.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
41.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
| 24 |
44 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
3 |
1 |
217 |
36.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.031 |
| 25 |
45 |
|
[1DF]C:402 |
5 |
1 |
356 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
46 |
|
[1DF]D:402 |
5 |
1 |
357 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
36.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
47 |
|
[1DF]B:402 |
4 |
1 |
357 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
48 |
|
[1DF]A:402 |
5 |
1 |
355 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
36.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 26 |
49 |
|
[GOL]C:404 |
3 |
1 |
218 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
14915 |
34.6 |
0.4 |
0.748 |
2 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[GOL]A:404 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
15227 |
34.6 |
0.4 |
0.761 |
2 |
0 |
0 |
0.000 |
| 28 |
51 |
|
A |
3 |
1 |
15227 |
◊ |
[GOL]A:404 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
220 |
30.9 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.004 |
| 29 |
52 |
|
[GOL]C:404 |
3 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
14915 |
30.8 |
-0.6 |
0.365 |
0 |
0 |
0 |
0.005 |
| 30 |
53 |
|
C |
2 |
1 |
14695 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
14695 |
30.5 |
0.3 |
0.769 |
0 |
1 |
0 |
0.000 |
54 |
|
B |
2 |
1 |
14736 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
14736 |
26.7 |
0.3 |
0.778 |
0 |
1 |
0 |
0.000 |
| Average: |
28.6 |
0.3 |
0.774 |
0 |
1 |
0 |
0.000 |
|