| ## |
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 |
|
H |
202 |
57 |
11642 |
◊ |
L |
x,y,z |
1_555 |
201 |
58 |
11497 |
1833.8 |
-25.3 |
0.089 |
12 |
2 |
0 |
1.000 |
2 |
|
A |
188 |
52 |
11457 |
◊ |
B |
x,y,z |
1_555 |
194 |
54 |
11429 |
1722.2 |
-27.0 |
0.051 |
7 |
0 |
0 |
1.000 |
3 |
|
F |
198 |
56 |
11340 |
◊ |
G |
x,y,z |
1_555 |
200 |
59 |
11677 |
1716.7 |
-24.7 |
0.082 |
10 |
0 |
0 |
1.000 |
4 |
|
J |
185 |
53 |
11400 |
◊ |
K |
x,y,z |
1_555 |
188 |
54 |
11480 |
1656.0 |
-27.4 |
0.041 |
9 |
0 |
0 |
1.000 |
| Average: |
1732.2 |
-26.1 |
0.066 |
10 |
1 |
0 |
1.000 |
| 2 |
5 |
|
K |
128 |
40 |
11480 |
◊ |
B |
x-1,y,z |
1_455 |
129 |
41 |
11429 |
1247.4 |
-4.6 |
0.618 |
11 |
0 |
0 |
0.000 |
6 |
|
G |
112 |
37 |
11677 |
◊ |
L |
-x+2,y-1/2,-z |
2_745 |
112 |
37 |
11497 |
1117.2 |
-7.0 |
0.362 |
7 |
0 |
0 |
0.000 |
| Average: |
1182.3 |
-5.8 |
0.490 |
9 |
0 |
0 |
0.000 |
| 3 |
7 |
|
S |
92 |
30 |
6876 |
◊ |
H |
x,y,z |
1_555 |
91 |
24 |
11642 |
873.1 |
-7.9 |
0.434 |
15 |
0 |
0 |
0.293 |
8 |
|
E |
93 |
29 |
7013 |
◊ |
A |
x,y,z |
1_555 |
88 |
24 |
11457 |
830.8 |
-8.2 |
0.466 |
10 |
0 |
0 |
0.293 |
9 |
|
I |
95 |
27 |
6822 |
◊ |
F |
x,y,z |
1_555 |
81 |
24 |
11340 |
779.8 |
-7.6 |
0.490 |
10 |
1 |
0 |
0.293 |
10 |
|
M |
87 |
25 |
6653 |
◊ |
J |
x,y,z |
1_555 |
82 |
21 |
11400 |
754.0 |
-6.7 |
0.479 |
9 |
3 |
0 |
0.293 |
| Average: |
809.4 |
-7.6 |
0.467 |
11 |
1 |
0 |
0.293 |
| 4 |
11 |
|
S |
37 |
10 |
6876 |
◊ |
L |
x,y,z |
1_555 |
44 |
14 |
11497 |
342.1 |
-0.8 |
0.599 |
7 |
3 |
0 |
0.088 |
12 |
|
E |
31 |
9 |
7013 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
11429 |
318.5 |
0.1 |
0.660 |
4 |
4 |
0 |
0.088 |
| Average: |
330.3 |
-0.4 |
0.629 |
6 |
4 |
0 |
0.088 |
| 5 |
13 |
|
I |
27 |
7 |
6822 |
◊ |
G |
x,y,z |
1_555 |
35 |
14 |
11677 |
323.8 |
0.6 |
0.733 |
3 |
5 |
0 |
0.035 |
14 |
|
M |
28 |
10 |
6653 |
◊ |
K |
x,y,z |
1_555 |
32 |
10 |
11480 |
274.7 |
0.9 |
0.683 |
3 |
1 |
0 |
0.035 |
| Average: |
299.3 |
0.7 |
0.708 |
3 |
3 |
0 |
0.035 |
| 6 |
15 |
|
H |
36 |
12 |
11642 |
◊ |
F |
x-1,y,z |
1_455 |
33 |
11 |
11340 |
314.5 |
-0.6 |
0.748 |
6 |
0 |
0 |
0.000 |
| 7 |
16 |
|
I |
35 |
14 |
6822 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
7013 |
308.8 |
-4.3 |
0.326 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
J |
35 |
13 |
11400 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
6653 |
296.4 |
-3.3 |
0.449 |
3 |
0 |
0 |
0.000 |
18 |
|
I |
29 |
8 |
6822 |
◊ |
F |
-x+2,y-1/2,-z |
2_745 |
27 |
11 |
11340 |
239.9 |
-2.0 |
0.534 |
2 |
0 |
0 |
0.000 |
| Average: |
268.1 |
-2.6 |
0.492 |
3 |
0 |
0 |
0.000 |
| 9 |
19 |
|
J |
33 |
12 |
11400 |
◊ |
S |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
12 |
6876 |
284.6 |
-1.8 |
0.578 |
2 |
0 |
0 |
0.000 |
| 10 |
20 |
|
I |
30 |
12 |
6822 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
15 |
11400 |
280.0 |
-1.3 |
0.661 |
2 |
0 |
0 |
0.000 |
| 11 |
21 |
|
M |
34 |
14 |
6653 |
◊ |
S |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
10 |
6876 |
278.2 |
-3.7 |
0.291 |
2 |
0 |
0 |
0.000 |
| 12 |
22 |
|
F |
35 |
12 |
11340 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
26 |
10 |
6653 |
271.2 |
-0.4 |
0.737 |
5 |
0 |
0 |
0.000 |
| 13 |
23 |
|
J |
26 |
8 |
11400 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
12 |
11457 |
251.0 |
-0.5 |
0.753 |
2 |
0 |
0 |
0.000 |
| 14 |
24 |
|
K |
20 |
6 |
11480 |
x |
K |
x-1,y,z |
1_455 |
23 |
6 |
11480 |
198.8 |
-1.3 |
0.419 |
3 |
0 |
0 |
0.000 |
25 |
|
G |
22 |
7 |
11677 |
x |
G |
x-1,y,z |
1_455 |
22 |
6 |
11677 |
193.8 |
-0.7 |
0.528 |
3 |
0 |
0 |
0.000 |
| Average: |
196.3 |
-1.0 |
0.473 |
3 |
0 |
0 |
0.000 |
| 15 |
26 |
|
L |
21 |
8 |
11497 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
7 |
11457 |
197.1 |
-0.2 |
0.673 |
1 |
0 |
0 |
0.000 |
27 |
|
H |
16 |
7 |
11642 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
11429 |
156.1 |
-1.2 |
0.525 |
0 |
0 |
0 |
0.000 |
| Average: |
176.6 |
-0.7 |
0.599 |
1 |
0 |
0 |
0.000 |
| 16 |
28 |
|
J |
17 |
5 |
11400 |
◊ |
K |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
11480 |
182.5 |
-1.6 |
0.407 |
0 |
0 |
0 |
0.000 |
29 |
|
G |
18 |
8 |
11677 |
◊ |
F |
-x+2,y-1/2,-z |
2_745 |
16 |
5 |
11340 |
171.5 |
-2.2 |
0.328 |
2 |
0 |
0 |
0.000 |
| Average: |
177.0 |
-1.9 |
0.367 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
H |
20 |
7 |
11642 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
5 |
11429 |
182.2 |
0.2 |
0.739 |
0 |
1 |
0 |
0.000 |
31 |
|
A |
20 |
8 |
11457 |
◊ |
L |
x,y,z |
1_555 |
14 |
6 |
11497 |
110.3 |
-0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
| Average: |
146.2 |
-0.0 |
0.706 |
0 |
1 |
0 |
0.000 |
| 18 |
32 |
|
J |
16 |
5 |
11400 |
◊ |
S |
-x,y-1/2,-z+1 |
2_546 |
22 |
8 |
6876 |
168.2 |
0.1 |
0.725 |
2 |
0 |
0 |
0.000 |
| 19 |
33 |
|
G |
19 |
5 |
11677 |
◊ |
S |
-x+1,y-1/2,-z |
2_645 |
11 |
4 |
6876 |
140.1 |
-1.5 |
0.320 |
0 |
0 |
0 |
0.000 |
34 |
|
E |
10 |
4 |
7013 |
◊ |
K |
x,y,z |
1_555 |
15 |
5 |
11480 |
124.4 |
-1.7 |
0.341 |
1 |
0 |
0 |
0.000 |
| Average: |
132.3 |
-1.6 |
0.331 |
1 |
0 |
0 |
0.000 |
| 20 |
35 |
|
E |
15 |
6 |
7013 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
7 |
11429 |
136.3 |
-0.3 |
0.397 |
1 |
0 |
0 |
0.000 |
36 |
|
S |
12 |
6 |
6876 |
◊ |
L |
x-1,y,z |
1_455 |
16 |
5 |
11497 |
94.7 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
115.5 |
-0.2 |
0.521 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
B |
15 |
7 |
11429 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
6 |
6653 |
132.7 |
-1.0 |
0.493 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
H |
14 |
5 |
11642 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
5 |
11457 |
123.5 |
-0.3 |
0.612 |
1 |
0 |
0 |
0.000 |
39 |
|
H |
8 |
3 |
11642 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11457 |
69.3 |
-0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
| Average: |
96.4 |
-0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
| 23 |
40 |
|
E |
12 |
4 |
7013 |
◊ |
F |
x-1,y,z |
1_455 |
16 |
8 |
11340 |
116.2 |
-2.4 |
0.304 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
E |
14 |
5 |
7013 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
11340 |
109.8 |
-1.2 |
0.526 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
S |
11 |
4 |
6876 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
11457 |
97.3 |
-0.3 |
0.626 |
1 |
0 |
0 |
0.000 |
43 |
|
E |
12 |
4 |
7013 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
11642 |
83.6 |
0.3 |
0.708 |
1 |
0 |
0 |
0.000 |
| Average: |
90.4 |
0.0 |
0.667 |
1 |
0 |
0 |
0.000 |
| 26 |
44 |
|
H |
11 |
3 |
11642 |
x |
H |
x-1,y,z |
1_455 |
5 |
2 |
11642 |
87.7 |
0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
7 |
2 |
11457 |
x |
A |
x-1,y,z |
1_455 |
4 |
1 |
11457 |
50.6 |
0.4 |
0.706 |
1 |
0 |
0 |
0.000 |
| Average: |
69.1 |
0.4 |
0.621 |
1 |
0 |
0 |
0.000 |
| 27 |
46 |
|
I |
12 |
4 |
6822 |
◊ |
L |
x,y-1,z |
1_545 |
10 |
5 |
11497 |
87.2 |
-1.8 |
0.308 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
E |
8 |
2 |
7013 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
4 |
6653 |
68.2 |
-0.4 |
0.582 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
L |
9 |
3 |
11497 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
11677 |
55.4 |
1.3 |
0.825 |
1 |
0 |
0 |
0.000 |
49 |
|
K |
1 |
1 |
11480 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
11429 |
3.9 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
0.7 |
0.734 |
1 |
0 |
0 |
0.000 |
| 30 |
50 |
|
G |
6 |
4 |
11677 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
11642 |
44.9 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
6 |
2 |
11457 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
11480 |
38.1 |
-0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
| Average: |
41.5 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
S |
5 |
2 |
6876 |
◊ |
I |
x-1,y+1,z |
1_465 |
5 |
2 |
6822 |
40.5 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
| 32 |
53 |
|
J |
6 |
3 |
11400 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
11457 |
40.4 |
1.2 |
0.816 |
1 |
0 |
0 |
0.000 |
54 |
|
H |
1 |
1 |
11642 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11340 |
0.7 |
0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
| Average: |
20.6 |
0.6 |
0.746 |
1 |
0 |
0 |
0.000 |
| 33 |
55 |
|
F |
6 |
2 |
11340 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11429 |
39.3 |
0.6 |
0.658 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
H |
6 |
3 |
11642 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
11677 |
37.9 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 35 |
57 |
|
I |
4 |
1 |
6822 |
◊ |
S |
x,y-1,z |
1_545 |
2 |
1 |
6876 |
36.2 |
-0.9 |
0.218 |
0 |
0 |
0 |
0.000 |
| 36 |
58 |
|
K |
3 |
1 |
11480 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11457 |
27.2 |
0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
K |
5 |
4 |
11480 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
11457 |
26.5 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
2 |
1 |
11400 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
11429 |
6.5 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
16.5 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
A |
4 |
3 |
11457 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
11429 |
22.2 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
62 |
|
H |
6 |
3 |
11642 |
◊ |
L |
x-1,y,z |
1_455 |
4 |
3 |
11497 |
9.2 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
| Average: |
15.7 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 39 |
63 |
|
E |
3 |
3 |
7013 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
6653 |
19.0 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| 40 |
64 |
|
J |
3 |
1 |
11400 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11497 |
16.0 |
-0.0 |
0.484 |
0 |
0 |
0 |
0.000 |
| 41 |
65 |
|
J |
2 |
2 |
11400 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
11429 |
15.8 |
0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| 42 |
66 |
|
G |
3 |
1 |
11677 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
11497 |
4.6 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 43 |
67 |
|
I |
2 |
2 |
6822 |
◊ |
M |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
6653 |
4.3 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
|