| ## |
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 |
|
D |
72 |
20 |
4707 |
◊ |
B |
-x,y,-z |
2_555 |
71 |
19 |
4703 |
665.4 |
-8.1 |
0.129 |
5 |
0 |
0 |
0.497 |
2 |
|
C |
67 |
19 |
4761 |
◊ |
C |
-x,y,-z |
2_555 |
66 |
19 |
4761 |
623.0 |
-10.4 |
0.064 |
4 |
0 |
0 |
0.497 |
3 |
|
A |
62 |
20 |
4696 |
◊ |
A |
-x,y,-z |
2_555 |
62 |
20 |
4696 |
605.3 |
-10.0 |
0.067 |
6 |
0 |
0 |
0.497 |
| Average: |
631.2 |
-9.5 |
0.087 |
5 |
0 |
0 |
0.497 |
| 2 |
4 |
|
D |
38 |
7 |
4707 |
◊ |
C |
-x,y,-z |
2_555 |
38 |
7 |
4761 |
328.1 |
3.2 |
0.804 |
11 |
4 |
0 |
0.036 |
5 |
|
B |
35 |
7 |
4703 |
◊ |
A |
-x,y,-z |
2_555 |
35 |
6 |
4696 |
313.5 |
2.4 |
0.789 |
7 |
4 |
0 |
0.036 |
| Average: |
320.8 |
2.8 |
0.796 |
9 |
4 |
0 |
0.036 |
| 3 |
6 |
|
C |
29 |
8 |
4761 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
4703 |
253.3 |
0.5 |
0.595 |
2 |
2 |
0 |
0.023 |
7 |
|
D |
27 |
9 |
4707 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
4761 |
237.0 |
1.1 |
0.670 |
2 |
1 |
0 |
0.023 |
8 |
|
D |
32 |
8 |
4707 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
4696 |
227.7 |
0.5 |
0.609 |
2 |
0 |
0 |
0.023 |
9 |
|
B |
27 |
8 |
4703 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
4696 |
224.9 |
-0.2 |
0.572 |
2 |
1 |
0 |
0.023 |
| Average: |
235.7 |
0.5 |
0.611 |
2 |
1 |
0 |
0.023 |
| 4 |
10 |
|
A |
29 |
9 |
4696 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
7 |
4707 |
234.8 |
1.3 |
0.536 |
3 |
0 |
0 |
0.000 |
| 5 |
11 |
|
B |
29 |
10 |
4703 |
◊ |
D |
x,y,z-1 |
1_554 |
23 |
9 |
4707 |
216.4 |
-2.5 |
0.290 |
1 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
17 |
5 |
4696 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
8 |
4761 |
188.8 |
1.7 |
0.753 |
0 |
3 |
0 |
0.000 |
| 7 |
13 |
|
D |
20 |
7 |
4707 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
9 |
4761 |
186.5 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
16 |
5 |
4703 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
17 |
5 |
4761 |
155.5 |
-0.1 |
0.541 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
D |
20 |
6 |
4707 |
◊ |
D |
-x,y,-z+1 |
2_556 |
20 |
6 |
4707 |
152.2 |
-1.9 |
0.330 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[MLA]B:101 |
7 |
1 |
227 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
4703 |
141.3 |
-4.3 |
0.684 |
4 |
0 |
0 |
0.153 |
| 11 |
17 |
|
[MLA]D:101 |
7 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
4707 |
133.1 |
-2.3 |
0.724 |
3 |
0 |
0 |
0.092 |
| 12 |
18 |
|
[MLA]A:102 |
7 |
1 |
228 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
4696 |
113.4 |
-4.1 |
0.514 |
1 |
0 |
0 |
0.187 |
| 13 |
19 |
|
[SCN]A:103 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
4696 |
109.0 |
-1.6 |
0.538 |
2 |
0 |
0 |
0.101 |
| 14 |
20 |
|
[SCN]B:103 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
4761 |
96.4 |
-2.1 |
0.627 |
2 |
0 |
0 |
0.246 |
| 15 |
21 |
|
[MLA]C:101 |
7 |
1 |
225 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
4703 |
88.0 |
-3.3 |
0.590 |
3 |
0 |
0 |
0.116 |
| 16 |
22 |
|
[SCN]B:102 |
3 |
1 |
184 |
f |
D |
-x,y,-z |
2_555 |
19 |
7 |
4707 |
87.3 |
-3.1 |
0.421 |
0 |
0 |
0 |
0.078 |
| 17 |
23 |
|
[MLA]C:101 |
6 |
1 |
225 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
4761 |
85.7 |
-1.7 |
0.638 |
1 |
0 |
0 |
0.022 |
| 18 |
24 |
|
[SCN]C:103 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
4761 |
84.0 |
-3.2 |
0.404 |
0 |
0 |
0 |
0.257 |
| 19 |
25 |
|
A |
12 |
5 |
4696 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
5 |
4703 |
82.0 |
-0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[SCN]A:104 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
4696 |
80.1 |
-1.2 |
0.662 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[SCN]B:102 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
4703 |
79.7 |
-2.1 |
0.430 |
0 |
0 |
0 |
0.053 |
| 22 |
28 |
|
[SCN]A:106 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
4696 |
79.0 |
-2.0 |
0.644 |
1 |
0 |
0 |
0.100 |
| 23 |
29 |
|
A |
12 |
3 |
4696 |
f |
[SCN]C:104 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
183 |
76.7 |
-2.1 |
0.565 |
1 |
0 |
0 |
0.102 |
| 24 |
30 |
|
[SCN]C:104 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
4761 |
74.7 |
-1.5 |
0.632 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[SCN]A:105 |
3 |
1 |
186 |
◊ |
A |
-x,y,-z |
2_555 |
13 |
5 |
4696 |
74.5 |
-1.7 |
0.482 |
0 |
0 |
0 |
0.069 |
| 26 |
32 |
|
[SCN]A:105 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
4696 |
72.1 |
-3.2 |
0.383 |
3 |
0 |
0 |
0.188 |
| 27 |
33 |
|
[MLA]A:102 |
7 |
1 |
228 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
4703 |
71.2 |
-3.4 |
0.506 |
1 |
0 |
0 |
0.038 |
| 28 |
34 |
|
[MLA]A:101 |
6 |
1 |
228 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
4696 |
68.1 |
-2.5 |
0.681 |
2 |
0 |
0 |
0.034 |
| 29 |
35 |
|
[SCN]A:104 |
3 |
1 |
184 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
4703 |
66.6 |
-1.4 |
0.527 |
0 |
0 |
0 |
0.036 |
| 30 |
36 |
|
[MLA]C:102 |
7 |
1 |
229 |
f |
D |
-x,y,-z |
2_555 |
9 |
4 |
4707 |
65.0 |
-2.4 |
0.727 |
1 |
0 |
0 |
0.072 |
| 31 |
37 |
|
[MLA]A:101 |
6 |
1 |
228 |
f |
B |
-x,y,-z |
2_555 |
9 |
4 |
4703 |
65.0 |
-2.4 |
0.689 |
3 |
0 |
0 |
0.093 |
| 32 |
38 |
|
[MLA]C:102 |
6 |
1 |
229 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
4761 |
63.8 |
-1.9 |
0.749 |
2 |
0 |
0 |
0.028 |
| 33 |
39 |
|
[SCN]C:103 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
4707 |
54.0 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.006 |
| 34 |
40 |
|
[SCN]A:106 |
3 |
1 |
184 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
4707 |
53.8 |
-1.0 |
0.702 |
1 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[SCN]D:102 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
4707 |
49.8 |
-2.0 |
0.600 |
0 |
0 |
0 |
0.044 |
| 36 |
42 |
|
[SCN]D:102 |
3 |
1 |
184 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
4 |
4703 |
47.8 |
-1.5 |
0.643 |
0 |
0 |
0 |
0.033 |
| 37 |
43 |
|
[SCN]B:103 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
4703 |
35.9 |
-0.3 |
0.700 |
0 |
0 |
0 |
0.003 |
| 38 |
44 |
|
[MLA]D:101 |
3 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4761 |
31.4 |
-1.0 |
0.699 |
1 |
0 |
0 |
0.015 |
| 39 |
45 |
|
[SCN]D:102 |
1 |
1 |
184 |
◊ |
[MLA]C:102 |
-x,y,-z |
2_555 |
5 |
1 |
229 |
29.0 |
-1.8 |
0.544 |
0 |
0 |
0 |
0.042 |
| 40 |
46 |
|
[MLA]B:101 |
3 |
1 |
227 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
4696 |
28.5 |
-1.0 |
0.687 |
1 |
0 |
0 |
0.014 |
| 41 |
47 |
|
[MLA]C:102 |
5 |
1 |
229 |
◊ |
C |
-x,y,-z |
2_555 |
4 |
2 |
4761 |
27.8 |
-0.3 |
0.591 |
0 |
0 |
0 |
0.003 |
| 42 |
48 |
|
[MLA]A:101 |
6 |
1 |
228 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
2 |
4696 |
27.4 |
-0.6 |
0.599 |
0 |
0 |
0 |
0.006 |
| 43 |
49 |
|
[SCN]A:103 |
3 |
1 |
185 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
4761 |
27.0 |
0.1 |
0.829 |
0 |
0 |
0 |
0.000 |
| 44 |
50 |
|
[SCN]A:106 |
3 |
1 |
184 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
4761 |
26.9 |
-0.8 |
0.608 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
[MLA]C:102 |
5 |
1 |
229 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4703 |
26.6 |
-1.4 |
0.598 |
0 |
0 |
0 |
0.035 |
| 46 |
52 |
|
[SCN]A:103 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
4707 |
26.4 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 47 |
53 |
|
[MLA]A:101 |
6 |
1 |
228 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
4707 |
25.5 |
-0.5 |
0.615 |
0 |
0 |
0 |
0.013 |
| 48 |
54 |
|
[SCN]B:103 |
1 |
1 |
184 |
◊ |
[MLA]C:101 |
x,y,z |
1_555 |
5 |
1 |
225 |
24.5 |
-0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[SCN]D:102 |
2 |
1 |
184 |
◊ |
[MLA]A:101 |
x,y,z |
1_555 |
4 |
1 |
228 |
24.2 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[SCN]C:103 |
1 |
1 |
184 |
◊ |
[MLA]D:101 |
x,y,z |
1_555 |
1 |
1 |
223 |
13.9 |
-0.6 |
0.617 |
0 |
0 |
0 |
0.006 |
| 51 |
57 |
|
[SCN]A:105 |
1 |
1 |
186 |
◊ |
[SCN]A:105 |
-x,y,-z |
2_555 |
1 |
1 |
186 |
13.4 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
A |
1 |
1 |
4696 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
4761 |
6.0 |
0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
A |
1 |
1 |
4696 |
◊ |
[SCN]C:103 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
184 |
4.8 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
[MLA]B:101 |
1 |
1 |
227 |
◊ |
[MLA]A:102 |
x,y,z |
1_555 |
1 |
1 |
228 |
3.3 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.004 |
| 55 |
61 |
|
[SCN]A:106 |
1 |
1 |
184 |
◊ |
[SCN]C:103 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
184 |
1.9 |
-0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
|