| ## |
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 |
|
K |
119 |
34 |
7622 |
◊ |
A |
x,y,z |
1_555 |
117 |
34 |
7784 |
1114.9 |
-20.5 |
0.140 |
10 |
5 |
0 |
0.995 |
2 |
|
H |
121 |
34 |
7886 |
◊ |
E |
x,y,z |
1_555 |
118 |
34 |
7722 |
1113.1 |
-20.7 |
0.091 |
8 |
4 |
0 |
0.995 |
3 |
|
D |
119 |
34 |
7574 |
◊ |
C |
x,y,z |
1_555 |
115 |
34 |
7663 |
1105.6 |
-20.4 |
0.111 |
9 |
5 |
0 |
0.995 |
4 |
|
N |
117 |
34 |
7932 |
◊ |
I |
x,y,z |
1_555 |
116 |
34 |
7647 |
1104.1 |
-20.6 |
0.145 |
10 |
4 |
0 |
0.995 |
5 |
|
M |
118 |
34 |
7518 |
◊ |
G |
x,y,z |
1_555 |
115 |
34 |
7676 |
1103.9 |
-19.9 |
0.106 |
10 |
5 |
0 |
0.995 |
6 |
|
L |
117 |
34 |
7899 |
◊ |
B |
x,y,z |
1_555 |
118 |
35 |
7887 |
1101.9 |
-20.2 |
0.127 |
10 |
5 |
0 |
0.995 |
7 |
|
J |
115 |
34 |
7440 |
◊ |
F |
x,y,z |
1_555 |
117 |
34 |
7596 |
1095.6 |
-20.4 |
0.116 |
11 |
5 |
0 |
0.995 |
| Average: |
1105.6 |
-20.4 |
0.119 |
10 |
5 |
0 |
0.995 |
| 2 |
8 |
|
I |
63 |
17 |
7647 |
◊ |
H |
x,y,z |
1_555 |
54 |
14 |
7886 |
559.3 |
-7.8 |
0.375 |
5 |
2 |
0 |
0.439 |
9 |
|
G |
53 |
13 |
7676 |
◊ |
D |
x,y,z |
1_555 |
64 |
17 |
7574 |
551.8 |
-8.1 |
0.294 |
6 |
2 |
0 |
0.439 |
10 |
|
L |
63 |
17 |
7899 |
◊ |
K |
x,y,z |
1_555 |
54 |
14 |
7622 |
550.9 |
-7.6 |
0.393 |
5 |
2 |
0 |
0.439 |
11 |
|
L |
52 |
13 |
7899 |
◊ |
C |
x,y,z |
1_555 |
62 |
16 |
7663 |
550.7 |
-7.7 |
0.371 |
5 |
2 |
0 |
0.439 |
12 |
|
M |
61 |
17 |
7518 |
◊ |
C |
x,y,z |
1_555 |
55 |
13 |
7663 |
548.9 |
-7.8 |
0.383 |
5 |
2 |
0 |
0.439 |
13 |
|
I |
54 |
14 |
7647 |
◊ |
G |
x,y,z |
1_555 |
63 |
16 |
7676 |
548.1 |
-7.7 |
0.352 |
5 |
2 |
0 |
0.439 |
14 |
|
K |
63 |
17 |
7622 |
◊ |
J |
x,y,z |
1_555 |
54 |
13 |
7440 |
544.2 |
-7.8 |
0.402 |
6 |
2 |
0 |
0.439 |
15 |
|
N |
63 |
16 |
7932 |
◊ |
M |
x,y,z |
1_555 |
54 |
14 |
7518 |
539.7 |
-7.9 |
0.401 |
6 |
2 |
0 |
0.439 |
16 |
|
N |
52 |
13 |
7932 |
◊ |
E |
x,y,z |
1_555 |
63 |
16 |
7722 |
538.6 |
-7.5 |
0.378 |
5 |
2 |
0 |
0.439 |
17 |
|
H |
61 |
16 |
7886 |
◊ |
F |
x,y,z |
1_555 |
53 |
13 |
7596 |
537.2 |
-7.8 |
0.323 |
5 |
2 |
0 |
0.439 |
18 |
|
J |
61 |
16 |
7440 |
◊ |
E |
x,y,z |
1_555 |
53 |
13 |
7722 |
535.5 |
-7.5 |
0.375 |
5 |
2 |
0 |
0.439 |
19 |
|
B |
53 |
13 |
7887 |
◊ |
A |
x,y,z |
1_555 |
61 |
16 |
7784 |
530.7 |
-7.4 |
0.395 |
5 |
2 |
0 |
0.439 |
20 |
|
F |
62 |
16 |
7596 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
7784 |
530.6 |
-7.6 |
0.368 |
5 |
2 |
0 |
0.439 |
21 |
|
D |
52 |
13 |
7574 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
7887 |
527.0 |
-7.4 |
0.358 |
5 |
2 |
0 |
0.439 |
| Average: |
542.4 |
-7.7 |
0.369 |
5 |
2 |
0 |
0.439 |
| 3 |
22 |
|
D |
31 |
10 |
7574 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
40 |
11 |
7784 |
299.0 |
2.5 |
0.944 |
5 |
5 |
0 |
0.000 |
| 4 |
23 |
|
K |
30 |
8 |
7622 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
33 |
9 |
7647 |
262.5 |
1.7 |
0.929 |
5 |
3 |
0 |
0.000 |
| 5 |
24 |
|
C |
28 |
9 |
7663 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
29 |
10 |
7886 |
253.3 |
0.5 |
0.802 |
2 |
0 |
0 |
0.000 |
| 6 |
25 |
|
N |
27 |
9 |
7932 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
10 |
7722 |
249.0 |
1.0 |
0.709 |
3 |
7 |
0 |
0.022 |
| 7 |
26 |
|
L |
18 |
5 |
7899 |
◊ |
B |
-x-1,y,-z |
2_455 |
20 |
6 |
7887 |
142.4 |
-0.0 |
0.777 |
0 |
0 |
0 |
0.000 |
| 8 |
27 |
|
M |
13 |
4 |
7518 |
◊ |
F |
x,y-1,z |
1_545 |
17 |
5 |
7596 |
127.2 |
-1.5 |
0.471 |
1 |
0 |
0 |
0.023 |
| 9 |
28 |
|
N |
15 |
4 |
7932 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
7886 |
117.2 |
0.4 |
0.673 |
0 |
3 |
0 |
0.002 |
| 10 |
29 |
|
G |
13 |
4 |
7676 |
◊ |
F |
x,y-1,z |
1_545 |
15 |
5 |
7596 |
112.2 |
0.6 |
0.798 |
0 |
0 |
0 |
0.038 |
30 |
|
M |
16 |
5 |
7518 |
◊ |
J |
x,y-1,z |
1_545 |
12 |
4 |
7440 |
96.5 |
-0.8 |
0.670 |
0 |
0 |
0 |
0.038 |
| Average: |
104.3 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.038 |
| 11 |
31 |
|
[ACT]H:632 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
18 |
9 |
7886 |
110.5 |
1.6 |
0.840 |
5 |
0 |
0 |
0.146 |
32 |
|
[ACT]F:632 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
7596 |
108.5 |
1.6 |
0.838 |
4 |
0 |
0 |
0.146 |
| Average: |
109.5 |
1.6 |
0.839 |
5 |
0 |
0 |
0.146 |
| 12 |
33 |
|
[ACT]I:632 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
7647 |
109.4 |
1.7 |
0.843 |
5 |
0 |
0 |
0.171 |
34 |
|
[ACT]A:632 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
7784 |
109.0 |
1.6 |
0.841 |
5 |
0 |
0 |
0.171 |
35 |
|
[ACT]M:632 |
4 |
1 |
183 |
f |
M |
x,y,z |
1_555 |
18 |
9 |
7518 |
108.5 |
0.0 |
0.785 |
6 |
0 |
0 |
0.171 |
36 |
|
[ACT]J:632 |
4 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
17 |
9 |
7440 |
107.8 |
2.3 |
0.846 |
5 |
0 |
0 |
0.171 |
37 |
|
[ACT]N:632 |
4 |
1 |
183 |
f |
N |
x,y,z |
1_555 |
18 |
9 |
7932 |
107.5 |
1.7 |
0.841 |
6 |
0 |
0 |
0.171 |
| Average: |
108.4 |
1.5 |
0.831 |
5 |
0 |
0 |
0.171 |
| 13 |
38 |
|
[ACT]D:632 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
7574 |
109.0 |
1.6 |
0.836 |
6 |
0 |
0 |
0.100 |
| 14 |
39 |
|
[ACT]K:632 |
4 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
17 |
9 |
7622 |
108.9 |
1.7 |
0.840 |
5 |
0 |
0 |
0.100 |
40 |
|
[ACT]B:632 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
7887 |
108.3 |
1.6 |
0.841 |
6 |
0 |
0 |
0.100 |
41 |
|
[ACT]C:632 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
7663 |
108.2 |
1.6 |
0.841 |
5 |
0 |
0 |
0.100 |
42 |
|
[ACT]E:632 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
7722 |
108.1 |
1.7 |
0.841 |
4 |
0 |
0 |
0.100 |
43 |
|
[ACT]G:632 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
16 |
8 |
7676 |
107.7 |
1.6 |
0.837 |
5 |
0 |
0 |
0.100 |
44 |
|
[ACT]L:632 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
7899 |
107.4 |
1.6 |
0.841 |
6 |
0 |
0 |
0.100 |
| Average: |
108.1 |
1.6 |
0.840 |
5 |
0 |
0 |
0.100 |
| 15 |
45 |
|
B |
9 |
5 |
7887 |
◊ |
B |
-x-1,y,-z |
2_455 |
9 |
5 |
7887 |
89.4 |
0.4 |
0.778 |
2 |
0 |
0 |
0.004 |
46 |
|
L |
11 |
5 |
7899 |
◊ |
L |
-x-1,y,-z |
2_455 |
11 |
5 |
7899 |
85.2 |
1.1 |
0.864 |
2 |
0 |
0 |
0.004 |
| Average: |
87.3 |
0.7 |
0.821 |
2 |
0 |
0 |
0.004 |
| 16 |
47 |
|
N |
12 |
4 |
7932 |
◊ |
[CD]H:1472 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
112 |
49.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.829 |
48 |
|
[CD]B:1472 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
7887 |
46.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.829 |
49 |
|
[CD]B:1472 |
1 |
1 |
112 |
◊ |
L |
-x-1,y,-z |
2_455 |
11 |
5 |
7899 |
45.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.829 |
50 |
|
[CD]J:1474 |
1 |
1 |
112 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
7440 |
43.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.829 |
51 |
|
[CD]F:1472 |
1 |
1 |
112 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
7596 |
39.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.829 |
52 |
|
G |
4 |
2 |
7676 |
◊ |
[CD]F:1472 |
x,y-1,z |
1_545 |
1 |
1 |
112 |
36.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.829 |
53 |
|
M |
5 |
3 |
7518 |
c |
[CD]J:1472 |
x,y-1,z |
1_545 |
1 |
1 |
112 |
35.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.829 |
54 |
|
[CD]J:1472 |
1 |
1 |
112 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
7440 |
34.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.829 |
55 |
|
M |
4 |
2 |
7518 |
◊ |
[CD]J:1474 |
x,y-1,z |
1_545 |
1 |
1 |
112 |
25.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.829 |
| Average: |
39.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.829 |
| 17 |
56 |
|
I |
5 |
2 |
7647 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
7722 |
43.9 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
57 |
|
L |
4 |
1 |
7899 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7784 |
40.0 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
58 |
|
M |
4 |
1 |
7518 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7574 |
39.5 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
5 |
2 |
7663 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7887 |
39.2 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
4 |
1 |
7440 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
7886 |
37.0 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
61 |
|
N |
4 |
1 |
7932 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
7676 |
36.2 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
62 |
|
K |
4 |
1 |
7622 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
7596 |
32.1 |
0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
38.3 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
| 18 |
63 |
|
[CD]H:1472 |
1 |
1 |
112 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
7886 |
40.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.854 |
64 |
|
G |
4 |
2 |
7676 |
◊ |
[CD]J:1473 |
x,y-1,z |
1_545 |
1 |
1 |
112 |
39.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.854 |
65 |
|
[CD]J:1473 |
1 |
1 |
112 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
7440 |
38.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.854 |
| Average: |
39.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.854 |
| 19 |
66 |
|
G |
3 |
1 |
7676 |
◊ |
J |
x,y-1,z |
1_545 |
3 |
1 |
7440 |
35.5 |
0.8 |
0.872 |
0 |
0 |
0 |
0.000 |
| 20 |
67 |
|
[CD]J:1474 |
1 |
1 |
112 |
f |
[CD]J:1472 |
x,y,z |
1_555 |
1 |
1 |
112 |
26.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.209 |
| 21 |
68 |
|
I |
4 |
3 |
7647 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
7722 |
21.0 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
| 22 |
69 |
|
M |
2 |
2 |
7518 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
7647 |
12.4 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
70 |
|
K |
2 |
2 |
7622 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7887 |
8.5 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
2 |
2 |
7676 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7663 |
7.7 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
72 |
|
J |
2 |
2 |
7440 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7784 |
6.8 |
0.2 |
0.760 |
0 |
0 |
0 |
0.000 |
73 |
|
L |
2 |
2 |
7899 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7574 |
6.7 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
74 |
|
N |
2 |
2 |
7932 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
7886 |
4.5 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
75 |
|
F |
2 |
2 |
7596 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
7722 |
2.0 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| 23 |
76 |
|
K |
1 |
1 |
7622 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
7676 |
2.8 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 24 |
77 |
|
B |
1 |
1 |
7887 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
7784 |
1.6 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|