| ## |
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 |
|
O |
64 |
21 |
6131 |
◊ |
I |
x,y,z |
1_555 |
63 |
21 |
5936 |
620.2 |
-1.0 |
0.671 |
12 |
0 |
0 |
0.014 |
2 |
|
E |
62 |
20 |
6236 |
◊ |
C |
x,y,z |
1_555 |
62 |
20 |
5914 |
582.0 |
-0.7 |
0.712 |
11 |
1 |
0 |
0.014 |
3 |
|
G |
56 |
18 |
5914 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
5876 |
538.1 |
-1.9 |
0.591 |
8 |
1 |
0 |
0.014 |
4 |
|
M |
57 |
18 |
5880 |
◊ |
K |
x,y,z |
1_555 |
55 |
18 |
5803 |
527.4 |
-1.9 |
0.628 |
8 |
1 |
0 |
0.014 |
| Average: |
566.9 |
-1.4 |
0.650 |
10 |
1 |
0 |
0.014 |
| 2 |
5 |
|
O |
66 |
23 |
6131 |
◊ |
M |
x,y,z |
1_555 |
59 |
22 |
5880 |
602.6 |
-4.8 |
0.392 |
4 |
0 |
0 |
0.017 |
6 |
|
K |
59 |
17 |
5803 |
◊ |
I |
x,y,z |
1_555 |
57 |
19 |
5936 |
567.7 |
-5.9 |
0.302 |
6 |
0 |
0 |
0.017 |
7 |
|
C |
47 |
20 |
5914 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
5876 |
536.7 |
-5.2 |
0.236 |
2 |
0 |
0 |
0.017 |
8 |
|
G |
52 |
19 |
5914 |
◊ |
E |
x,y,z |
1_555 |
58 |
21 |
6236 |
514.4 |
-3.2 |
0.457 |
6 |
0 |
0 |
0.017 |
| Average: |
555.4 |
-4.8 |
0.347 |
5 |
0 |
0 |
0.017 |
| 3 |
9 |
|
B |
56 |
11 |
1781 |
◊ |
A |
x,y,z |
1_555 |
76 |
20 |
5876 |
588.8 |
-11.9 |
0.161 |
3 |
0 |
0 |
1.000 |
10 |
|
N |
55 |
11 |
1838 |
◊ |
M |
x,y,z |
1_555 |
79 |
19 |
5880 |
578.1 |
-12.1 |
0.168 |
2 |
1 |
0 |
1.000 |
11 |
|
L |
58 |
11 |
1761 |
◊ |
K |
x,y,z |
1_555 |
72 |
18 |
5803 |
569.1 |
-13.2 |
0.141 |
1 |
1 |
0 |
1.000 |
12 |
|
P |
57 |
11 |
1733 |
◊ |
O |
x,y,z |
1_555 |
75 |
19 |
6131 |
568.9 |
-13.1 |
0.144 |
1 |
0 |
0 |
1.000 |
13 |
|
F |
57 |
11 |
1839 |
◊ |
E |
x,y,z |
1_555 |
71 |
18 |
6236 |
564.8 |
-12.2 |
0.155 |
3 |
1 |
0 |
1.000 |
14 |
|
D |
61 |
11 |
1743 |
◊ |
C |
x,y,z |
1_555 |
78 |
19 |
5914 |
564.7 |
-12.9 |
0.185 |
2 |
1 |
0 |
1.000 |
15 |
|
J |
58 |
11 |
1784 |
◊ |
I |
x,y,z |
1_555 |
73 |
18 |
5936 |
559.8 |
-12.1 |
0.168 |
2 |
1 |
0 |
1.000 |
16 |
|
H |
58 |
11 |
1757 |
◊ |
G |
x,y,z |
1_555 |
66 |
16 |
5914 |
531.2 |
-11.8 |
0.153 |
1 |
1 |
0 |
1.000 |
| Average: |
565.7 |
-12.4 |
0.159 |
2 |
1 |
0 |
1.000 |
| 4 |
17 |
|
M |
41 |
16 |
5880 |
◊ |
C |
x,y,z |
1_555 |
38 |
14 |
5914 |
387.0 |
-1.6 |
0.517 |
4 |
0 |
0 |
0.000 |
18 |
|
G |
35 |
12 |
5914 |
◊ |
I |
x,y,z-1 |
1_554 |
36 |
12 |
5936 |
342.5 |
0.3 |
0.664 |
6 |
0 |
0 |
0.000 |
| Average: |
364.7 |
-0.7 |
0.590 |
5 |
0 |
0 |
0.000 |
| 5 |
19 |
|
O |
28 |
9 |
6131 |
◊ |
A |
x,y,z |
1_555 |
28 |
13 |
5876 |
302.7 |
-0.5 |
0.616 |
4 |
4 |
0 |
0.000 |
| 6 |
20 |
|
O |
33 |
13 |
6131 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
5914 |
278.2 |
3.2 |
0.910 |
7 |
1 |
0 |
0.000 |
21 |
|
G |
29 |
13 |
5914 |
◊ |
K |
x,y,z-1 |
1_554 |
30 |
13 |
5803 |
263.0 |
1.9 |
0.860 |
5 |
0 |
0 |
0.000 |
| Average: |
270.6 |
2.5 |
0.885 |
6 |
1 |
0 |
0.000 |
| 7 |
22 |
|
N |
27 |
7 |
1838 |
◊ |
O |
x-1,y,z |
1_455 |
26 |
9 |
6131 |
233.3 |
-1.7 |
0.668 |
1 |
0 |
0 |
0.000 |
23 |
|
F |
21 |
7 |
1839 |
◊ |
G |
x-1,y,z |
1_455 |
26 |
9 |
5914 |
209.9 |
-0.9 |
0.586 |
1 |
0 |
0 |
0.000 |
24 |
|
K |
26 |
8 |
5803 |
◊ |
J |
x-1,y,z |
1_455 |
26 |
7 |
1784 |
208.9 |
-0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
19 |
7 |
5914 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
7 |
1781 |
188.1 |
0.1 |
0.697 |
2 |
0 |
0 |
0.000 |
| Average: |
210.1 |
-0.7 |
0.687 |
1 |
0 |
0 |
0.000 |
| 8 |
26 |
|
E |
19 |
10 |
6236 |
◊ |
K |
x,y,z-1 |
1_554 |
21 |
8 |
5803 |
205.3 |
0.6 |
0.730 |
3 |
4 |
0 |
0.000 |
| 9 |
27 |
|
F |
16 |
4 |
1839 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
4 |
1781 |
148.3 |
1.9 |
0.893 |
3 |
0 |
0 |
0.000 |
28 |
|
N |
18 |
4 |
1838 |
◊ |
J |
x-1,y,z |
1_455 |
17 |
4 |
1784 |
146.4 |
0.7 |
0.857 |
2 |
0 |
0 |
0.000 |
| Average: |
147.4 |
1.3 |
0.875 |
3 |
0 |
0 |
0.000 |
| 10 |
29 |
|
M |
15 |
5 |
5880 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
6 |
6236 |
143.2 |
-1.4 |
0.440 |
1 |
0 |
0 |
0.000 |
| 11 |
30 |
|
M |
17 |
6 |
5880 |
◊ |
P |
x-1,y,z |
1_455 |
17 |
4 |
1733 |
138.1 |
-0.5 |
0.708 |
1 |
0 |
0 |
0.000 |
31 |
|
L |
14 |
4 |
1761 |
◊ |
I |
x-1,y,z |
1_455 |
15 |
5 |
5936 |
131.2 |
-0.3 |
0.707 |
2 |
0 |
0 |
0.000 |
32 |
|
E |
13 |
5 |
6236 |
◊ |
H |
x-1,y,z |
1_455 |
17 |
4 |
1757 |
124.1 |
0.0 |
0.756 |
2 |
0 |
0 |
0.000 |
33 |
|
D |
13 |
4 |
1743 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
5876 |
114.8 |
-0.6 |
0.668 |
1 |
0 |
0 |
0.000 |
| Average: |
127.0 |
-0.4 |
0.710 |
2 |
0 |
0 |
0.000 |
| 12 |
34 |
|
E |
13 |
6 |
6236 |
◊ |
G |
x-1,y,z |
1_455 |
14 |
7 |
5914 |
115.2 |
-1.2 |
0.445 |
0 |
0 |
0 |
0.000 |
35 |
|
M |
8 |
3 |
5880 |
◊ |
O |
x-1,y,z |
1_455 |
9 |
4 |
6131 |
76.9 |
-0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
8 |
6 |
5914 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
5876 |
72.8 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.000 |
37 |
|
K |
7 |
4 |
5803 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
5936 |
71.3 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
| Average: |
84.0 |
-0.5 |
0.547 |
0 |
0 |
0 |
0.000 |
| 13 |
38 |
|
M |
13 |
5 |
5880 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
1781 |
114.9 |
0.2 |
0.732 |
2 |
2 |
0 |
0.000 |
| 14 |
39 |
|
I |
12 |
3 |
5936 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
11 |
4 |
5803 |
108.3 |
-0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
H |
11 |
2 |
1757 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
5876 |
106.0 |
-1.3 |
0.513 |
0 |
0 |
0 |
0.006 |
41 |
|
L |
11 |
2 |
1761 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
5880 |
95.5 |
-1.4 |
0.441 |
0 |
0 |
0 |
0.006 |
42 |
|
P |
10 |
2 |
1733 |
◊ |
I |
x,y,z |
1_555 |
13 |
3 |
5936 |
95.5 |
-1.6 |
0.463 |
0 |
0 |
0 |
0.006 |
43 |
|
D |
10 |
2 |
1743 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
6236 |
95.3 |
-1.6 |
0.436 |
0 |
0 |
0 |
0.006 |
44 |
|
F |
11 |
2 |
1839 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
5914 |
81.1 |
-1.3 |
0.493 |
0 |
0 |
0 |
0.006 |
45 |
|
J |
10 |
2 |
1784 |
◊ |
O |
x,y,z |
1_555 |
10 |
3 |
6131 |
78.7 |
-1.2 |
0.478 |
0 |
0 |
0 |
0.006 |
46 |
|
B |
9 |
2 |
1781 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
5914 |
75.5 |
-1.2 |
0.441 |
0 |
0 |
0 |
0.006 |
47 |
|
N |
9 |
2 |
1838 |
◊ |
K |
x,y,z |
1_555 |
10 |
3 |
5803 |
73.3 |
-1.2 |
0.491 |
0 |
0 |
0 |
0.006 |
| Average: |
87.6 |
-1.3 |
0.469 |
0 |
0 |
0 |
0.006 |
| 16 |
48 |
|
E |
9 |
3 |
6236 |
◊ |
O |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
6131 |
105.6 |
-0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
| 17 |
49 |
|
M |
10 |
5 |
5880 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
6 |
5914 |
102.5 |
0.2 |
0.701 |
2 |
0 |
0 |
0.000 |
| 18 |
50 |
|
I |
10 |
3 |
5936 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
16 |
8 |
5914 |
97.0 |
0.6 |
0.621 |
1 |
0 |
0 |
0.000 |
| 19 |
51 |
|
E |
11 |
5 |
6236 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
5876 |
95.8 |
-1.7 |
0.309 |
0 |
0 |
0 |
0.002 |
52 |
|
O |
9 |
5 |
6131 |
◊ |
K |
x,y,z |
1_555 |
9 |
6 |
5803 |
81.0 |
-1.9 |
0.230 |
0 |
0 |
0 |
0.002 |
| Average: |
88.4 |
-1.8 |
0.269 |
0 |
0 |
0 |
0.002 |
| 20 |
53 |
|
E |
9 |
4 |
6236 |
◊ |
L |
x,y,z-1 |
1_554 |
10 |
4 |
1761 |
94.3 |
-0.1 |
0.713 |
3 |
2 |
0 |
0.000 |
| 21 |
54 |
|
A |
12 |
4 |
5876 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
5876 |
85.2 |
0.7 |
0.789 |
2 |
0 |
0 |
0.000 |
| 22 |
55 |
|
P |
11 |
4 |
1733 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
5876 |
79.2 |
0.0 |
0.686 |
1 |
2 |
0 |
0.000 |
| 23 |
56 |
|
E |
7 |
2 |
6236 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
5 |
5914 |
75.2 |
0.5 |
0.733 |
2 |
1 |
0 |
0.000 |
| 24 |
57 |
|
M |
6 |
3 |
5880 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
5876 |
74.1 |
-0.9 |
0.322 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
I |
11 |
3 |
5936 |
x |
I |
-x,y-1/2,-z |
2_545 |
5 |
1 |
5936 |
73.9 |
0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
| 26 |
59 |
|
O |
12 |
3 |
6131 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
8 |
4 |
5914 |
69.9 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 27 |
60 |
|
E |
8 |
3 |
6236 |
◊ |
M |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
5880 |
68.7 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 28 |
61 |
|
A |
7 |
2 |
5876 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
5 |
3 |
5914 |
60.1 |
0.4 |
0.735 |
1 |
0 |
0 |
0.000 |
| 29 |
62 |
|
M |
7 |
3 |
5880 |
◊ |
I |
x-1,y,z |
1_455 |
6 |
2 |
5936 |
59.3 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
63 |
|
E |
5 |
2 |
6236 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
5876 |
47.2 |
-0.5 |
0.446 |
0 |
0 |
0 |
0.000 |
| Average: |
53.3 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
| 30 |
64 |
|
C |
9 |
3 |
5914 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
3 |
5914 |
56.9 |
1.0 |
0.836 |
0 |
0 |
0 |
0.000 |
| 31 |
65 |
|
F |
8 |
2 |
1839 |
◊ |
I |
x-1,y,z-1 |
1_454 |
7 |
4 |
5936 |
55.2 |
1.0 |
0.820 |
1 |
1 |
0 |
0.000 |
| 32 |
66 |
|
E |
5 |
3 |
6236 |
◊ |
I |
x-1,y,z-1 |
1_454 |
4 |
2 |
5936 |
46.1 |
-1.0 |
0.251 |
0 |
0 |
0 |
0.000 |
| 33 |
67 |
|
H |
4 |
2 |
1757 |
◊ |
I |
x,y,z-1 |
1_554 |
5 |
2 |
5936 |
39.9 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 34 |
68 |
|
N |
4 |
2 |
1838 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
3 |
5914 |
39.8 |
0.6 |
0.805 |
1 |
0 |
0 |
0.000 |
| 35 |
69 |
|
D |
3 |
1 |
1743 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
5880 |
33.3 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
| 36 |
70 |
|
L |
4 |
2 |
1761 |
◊ |
H |
x-1,y,z+1 |
1_456 |
3 |
1 |
1757 |
29.3 |
-1.3 |
0.326 |
0 |
0 |
0 |
0.000 |
| 37 |
71 |
|
J |
2 |
1 |
1784 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
6 |
3 |
5803 |
24.6 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 38 |
72 |
|
I |
2 |
1 |
5936 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
1757 |
20.1 |
0.5 |
0.519 |
0 |
0 |
0 |
0.000 |
| 39 |
73 |
|
N |
5 |
1 |
1838 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
5876 |
16.3 |
0.5 |
0.818 |
0 |
0 |
0 |
0.000 |
| 40 |
74 |
|
I |
4 |
2 |
5936 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
2 |
1 |
6131 |
14.4 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| 41 |
75 |
|
F |
2 |
1 |
1839 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
5876 |
12.8 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
76 |
|
N |
3 |
1 |
1838 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
2 |
5936 |
11.1 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
77 |
|
E |
3 |
2 |
6236 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
1781 |
9.9 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
78 |
|
M |
3 |
2 |
5880 |
◊ |
J |
x-1,y,z |
1_455 |
2 |
1 |
1784 |
9.1 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
10.7 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 42 |
79 |
|
K |
3 |
1 |
5803 |
x |
K |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
5803 |
6.6 |
-0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
| 43 |
80 |
|
E |
1 |
1 |
6236 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
1743 |
5.7 |
0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 44 |
81 |
|
D |
1 |
1 |
1743 |
◊ |
P |
x-1,y,z |
1_455 |
1 |
1 |
1733 |
5.4 |
-0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
| 45 |
82 |
|
F |
1 |
1 |
1839 |
◊ |
J |
x-1,y,z-1 |
1_454 |
2 |
1 |
1784 |
5.3 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
| 46 |
83 |
|
N |
2 |
1 |
1838 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
1781 |
4.6 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 47 |
84 |
|
B |
1 |
1 |
1781 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
5914 |
1.3 |
-0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 48 |
85 |
|
G |
1 |
1 |
5914 |
◊ |
O |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
6131 |
0.3 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|