| ## |
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 |
|
C |
98 |
33 |
14050 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
97 |
32 |
14198 |
855.8 |
-4.4 |
0.555 |
10 |
0 |
0 |
0.086 |
2 |
|
B |
92 |
34 |
13919 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
92 |
31 |
13918 |
853.6 |
-5.4 |
0.506 |
5 |
0 |
0 |
0.086 |
| Average: |
854.7 |
-4.9 |
0.531 |
8 |
0 |
0 |
0.086 |
| 2 |
3 |
|
D |
62 |
20 |
14198 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
13918 |
554.7 |
3.8 |
0.930 |
9 |
0 |
0 |
0.000 |
| 3 |
4 |
|
D |
32 |
12 |
14198 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
32 |
12 |
13918 |
307.2 |
-1.6 |
0.518 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
26 |
8 |
13918 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
26 |
8 |
13918 |
284.8 |
-2.4 |
0.377 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
24 |
7 |
14198 |
◊ |
C |
-x+1,y,-z |
2_655 |
23 |
7 |
14050 |
237.7 |
-6.5 |
0.025 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
22 |
6 |
13919 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
21 |
6 |
13918 |
226.8 |
-6.3 |
0.024 |
0 |
0 |
0 |
0.000 |
| Average: |
232.2 |
-6.4 |
0.025 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[MPD]C:1012 |
7 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
14050 |
181.2 |
-11.5 |
0.686 |
2 |
0 |
0 |
0.121 |
| 7 |
9 |
|
[MPD]A:1002 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
13918 |
178.8 |
-11.6 |
0.656 |
1 |
0 |
0 |
0.136 |
| 8 |
10 |
|
[MPD]A:1001 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13918 |
139.5 |
-9.5 |
0.595 |
1 |
0 |
0 |
0.113 |
| 9 |
11 |
|
[MPD]A:1006 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
13918 |
135.9 |
-8.2 |
0.645 |
1 |
0 |
0 |
0.097 |
| 10 |
12 |
|
[MPD]A:1009 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
13918 |
135.4 |
-7.0 |
0.934 |
1 |
0 |
0 |
0.084 |
| 11 |
13 |
|
[MPD]B:1010 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
13919 |
133.3 |
-7.2 |
0.894 |
2 |
0 |
0 |
0.091 |
| 12 |
14 |
|
C |
18 |
6 |
14050 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
3 |
13919 |
132.8 |
-2.1 |
0.192 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[MPD]C:1013 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
14050 |
130.6 |
-9.0 |
0.631 |
2 |
0 |
0 |
0.097 |
| 14 |
16 |
|
[MPD]C:1011 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
14050 |
129.7 |
-6.8 |
0.914 |
1 |
0 |
0 |
0.070 |
| 15 |
17 |
|
[MPD]A:1004 |
7 |
1 |
278 |
f |
B |
-x+1,y,-z+1 |
2_656 |
19 |
8 |
13919 |
129.7 |
-8.6 |
0.635 |
0 |
0 |
0 |
0.097 |
18 |
|
[MPD]D:1015 |
7 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
14198 |
126.7 |
-8.5 |
0.623 |
0 |
0 |
0 |
0.097 |
| Average: |
128.2 |
-8.5 |
0.629 |
0 |
0 |
0 |
0.097 |
| 16 |
19 |
|
[MPD]D:1016 |
6 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
14198 |
129.4 |
-7.8 |
0.618 |
0 |
0 |
0 |
0.076 |
| 17 |
20 |
|
[MPD]A:1014 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
14198 |
109.7 |
-6.4 |
0.758 |
0 |
0 |
0 |
0.062 |
| 18 |
21 |
|
[MPD]C:1008 |
6 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
14050 |
101.8 |
-6.1 |
0.694 |
1 |
0 |
0 |
0.063 |
| 19 |
22 |
|
[MPD]C:1007 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
14050 |
99.8 |
-5.8 |
0.724 |
3 |
0 |
0 |
0.070 |
| 20 |
23 |
|
[MPD]A:1014 |
6 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
13918 |
97.1 |
-6.0 |
0.733 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[MPD]D:1017 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
13 |
10 |
14198 |
96.6 |
-6.0 |
0.584 |
0 |
0 |
0 |
0.059 |
| 22 |
25 |
|
B |
11 |
5 |
13919 |
f |
[MPD]A:1003 |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
279 |
85.7 |
-5.0 |
0.680 |
2 |
0 |
0 |
0.067 |
| 23 |
26 |
|
[MPD]A:1005 |
6 |
1 |
277 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
11 |
7 |
13919 |
85.5 |
-5.4 |
0.545 |
0 |
0 |
0 |
0.061 |
| 24 |
27 |
|
[MPD]A:1005 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13918 |
83.4 |
-3.2 |
0.935 |
0 |
0 |
0 |
0.036 |
| 25 |
28 |
|
C |
11 |
5 |
14050 |
◊ |
[MPD]D:1017 |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
280 |
82.8 |
-3.4 |
0.910 |
4 |
0 |
0 |
0.050 |
| 26 |
29 |
|
[MPD]A:1003 |
4 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13918 |
75.3 |
-4.3 |
0.722 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[MPD]C:1008 |
5 |
1 |
276 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
9 |
3 |
14198 |
71.6 |
-4.0 |
0.721 |
1 |
0 |
0 |
0.043 |
| 28 |
31 |
|
[MPD]A:1004 |
5 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13918 |
62.5 |
-3.7 |
0.726 |
0 |
0 |
0 |
0.042 |
32 |
|
C |
11 |
3 |
14050 |
◊ |
[MPD]D:1015 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
276 |
59.8 |
-3.5 |
0.734 |
0 |
0 |
0 |
0.042 |
| Average: |
61.1 |
-3.6 |
0.730 |
0 |
0 |
0 |
0.042 |
| 29 |
33 |
|
[MPD]C:1013 |
4 |
1 |
277 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
14198 |
58.8 |
-3.6 |
0.722 |
0 |
0 |
0 |
0.035 |
| 30 |
34 |
|
[MPD]A:1001 |
5 |
1 |
276 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
11 |
3 |
13919 |
52.7 |
-3.2 |
0.711 |
0 |
0 |
0 |
0.036 |
| 31 |
35 |
|
[MPD]D:1017 |
5 |
1 |
280 |
f |
[MPD]D:1015 |
x,y,z |
1_555 |
4 |
1 |
276 |
49.7 |
-4.8 |
0.000 |
1 |
0 |
0 |
0.051 |
| 32 |
36 |
|
[MPD]A:1005 |
5 |
1 |
277 |
◊ |
[MPD]A:1004 |
x,y,z |
1_555 |
4 |
1 |
278 |
45.9 |
-4.4 |
0.000 |
1 |
0 |
0 |
0.055 |
| 33 |
37 |
|
B |
10 |
6 |
13919 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
13918 |
45.0 |
-0.8 |
0.384 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
D |
1 |
1 |
14198 |
◊ |
D |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
14198 |
2.6 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[MPD]C:1007 |
1 |
1 |
278 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
14198 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|