## |
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 |
117 |
36 |
9716 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
10366 |
1042.3 |
-10.6 |
0.154 |
17 |
5 |
0 |
0.340 |
2 |
|
G |
99 |
30 |
10355 |
◊ |
E |
x,y,z |
1_555 |
120 |
36 |
9710 |
1039.6 |
-10.4 |
0.169 |
14 |
5 |
0 |
0.340 |
3 |
|
D |
117 |
37 |
9708 |
◊ |
B |
x,y,z |
1_555 |
97 |
29 |
10478 |
1036.8 |
-10.4 |
0.166 |
17 |
5 |
0 |
0.340 |
4 |
|
H |
98 |
30 |
10468 |
◊ |
F |
x,y,z |
1_555 |
117 |
35 |
9699 |
1031.5 |
-10.7 |
0.152 |
14 |
5 |
0 |
0.340 |
Average: |
1037.6 |
-10.5 |
0.160 |
16 |
5 |
0 |
0.340 |
2 |
5 |
|
H |
84 |
24 |
10468 |
◊ |
G |
x,y,z |
1_555 |
82 |
24 |
10355 |
850.5 |
-2.4 |
0.704 |
10 |
0 |
0 |
0.011 |
6 |
|
B |
83 |
24 |
10478 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
10366 |
838.5 |
-2.5 |
0.706 |
9 |
0 |
0 |
0.011 |
7 |
|
F |
80 |
22 |
9699 |
◊ |
E |
x,y,z |
1_555 |
81 |
22 |
9710 |
810.4 |
-2.5 |
0.640 |
9 |
0 |
0 |
0.011 |
8 |
|
D |
79 |
22 |
9708 |
◊ |
C |
x,y,z |
1_555 |
80 |
22 |
9716 |
795.9 |
-2.3 |
0.648 |
9 |
0 |
0 |
0.011 |
Average: |
823.8 |
-2.4 |
0.674 |
9 |
0 |
0 |
0.011 |
3 |
9 |
|
D |
51 |
17 |
9708 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
59 |
20 |
9716 |
499.9 |
-3.7 |
0.425 |
7 |
0 |
0 |
0.000 |
4 |
10 |
|
G |
47 |
17 |
10355 |
◊ |
B |
x,y,z |
1_555 |
47 |
17 |
10478 |
487.1 |
-0.1 |
0.769 |
10 |
1 |
0 |
0.022 |
11 |
|
H |
35 |
12 |
10468 |
◊ |
C |
x-1,y+1,z |
1_465 |
44 |
16 |
9716 |
392.4 |
1.9 |
0.877 |
7 |
1 |
0 |
0.022 |
12 |
|
F |
43 |
16 |
9699 |
◊ |
A |
x-1,y+1,z |
1_465 |
36 |
13 |
10366 |
385.7 |
1.6 |
0.861 |
6 |
1 |
0 |
0.022 |
13 |
|
E |
37 |
17 |
9710 |
◊ |
D |
x,y,z |
1_555 |
38 |
15 |
9708 |
355.8 |
0.8 |
0.781 |
5 |
1 |
0 |
0.022 |
Average: |
405.2 |
1.0 |
0.822 |
7 |
1 |
0 |
0.022 |
5 |
14 |
|
H |
59 |
16 |
10468 |
◊ |
E |
x-1,y,z |
1_455 |
58 |
16 |
9710 |
423.4 |
4.2 |
0.954 |
2 |
2 |
0 |
0.000 |
6 |
15 |
|
F |
36 |
15 |
9699 |
◊ |
C |
x-1,y+1,z |
1_465 |
36 |
15 |
9716 |
396.4 |
-4.2 |
0.253 |
4 |
0 |
0 |
0.050 |
7 |
16 |
|
A |
21 |
9 |
10366 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
8 |
10478 |
246.2 |
-0.7 |
0.580 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
[ADE]G:601 |
10 |
1 |
270 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
10355 |
121.7 |
2.2 |
0.231 |
5 |
0 |
0 |
0.008 |
18 |
|
[ADE]A:601 |
10 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10366 |
121.6 |
2.1 |
0.245 |
5 |
0 |
0 |
0.008 |
19 |
|
[ADE]B:601 |
10 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10478 |
121.5 |
2.1 |
0.235 |
5 |
0 |
0 |
0.008 |
20 |
|
[ADE]H:601 |
10 |
1 |
271 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
10468 |
120.2 |
2.1 |
0.225 |
5 |
0 |
0 |
0.008 |
21 |
|
[ADE]D:601 |
10 |
1 |
272 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9708 |
110.6 |
1.9 |
0.194 |
5 |
0 |
0 |
0.008 |
22 |
|
[ADE]E:601 |
10 |
1 |
269 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
9710 |
110.5 |
2.0 |
0.193 |
5 |
0 |
0 |
0.008 |
23 |
|
[ADE]C:601 |
10 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9716 |
108.2 |
1.9 |
0.206 |
5 |
0 |
0 |
0.008 |
24 |
|
[ADE]F:601 |
10 |
1 |
271 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
9699 |
107.9 |
1.9 |
0.203 |
5 |
0 |
0 |
0.008 |
Average: |
115.3 |
2.0 |
0.216 |
5 |
0 |
0 |
0.008 |
9 |
25 |
|
[ADE]F:601 |
9 |
1 |
271 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
10468 |
90.9 |
1.0 |
0.137 |
1 |
0 |
0 |
0.000 |
26 |
|
[ADE]D:601 |
9 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
10478 |
90.8 |
0.9 |
0.112 |
1 |
0 |
0 |
0.000 |
27 |
|
[ADE]C:601 |
9 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
10366 |
89.9 |
1.0 |
0.129 |
1 |
0 |
0 |
0.000 |
28 |
|
[ADE]E:601 |
8 |
1 |
269 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
10355 |
86.0 |
0.8 |
0.134 |
1 |
0 |
0 |
0.000 |
29 |
|
[ADE]B:601 |
7 |
1 |
270 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
9708 |
76.8 |
0.7 |
0.171 |
1 |
0 |
0 |
0.000 |
30 |
|
[ADE]A:601 |
7 |
1 |
269 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
9716 |
76.0 |
0.8 |
0.174 |
1 |
0 |
0 |
0.000 |
31 |
|
[ADE]H:601 |
7 |
1 |
271 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
9699 |
75.7 |
0.8 |
0.149 |
1 |
0 |
0 |
0.000 |
32 |
|
[ADE]G:601 |
7 |
1 |
270 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
9710 |
74.6 |
0.6 |
0.142 |
1 |
0 |
0 |
0.000 |
Average: |
82.6 |
0.8 |
0.143 |
1 |
0 |
0 |
0.000 |
10 |
33 |
|
E |
13 |
7 |
9710 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
10478 |
89.5 |
-1.5 |
0.327 |
0 |
0 |
0 |
0.000 |
11 |
34 |
|
[MN]F:302 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
9699 |
59.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
35 |
|
[MN]C:302 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
9716 |
59.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.226 |
36 |
|
[MN]D:302 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
9708 |
59.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
37 |
|
[MN]G:302 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
9 |
7 |
10355 |
59.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
38 |
|
[MN]B:302 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10478 |
59.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.226 |
39 |
|
[MN]E:302 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
9710 |
59.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
40 |
|
[MN]A:302 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
10366 |
58.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
41 |
|
[MN]H:302 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
10 |
8 |
10468 |
58.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
59.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
12 |
42 |
|
F |
8 |
3 |
9699 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
9716 |
57.2 |
-1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
13 |
43 |
|
H |
5 |
2 |
10468 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
7 |
4 |
9699 |
44.5 |
0.4 |
0.754 |
1 |
0 |
0 |
0.000 |
14 |
44 |
|
[CA]H:301 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
10468 |
41.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
45 |
|
[CA]G:301 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
10355 |
41.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
46 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9708 |
41.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.414 |
47 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9716 |
41.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
48 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10478 |
40.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.414 |
49 |
|
[CA]F:301 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
9699 |
40.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.414 |
50 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10366 |
40.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
51 |
|
[CA]E:301 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
9710 |
40.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
Average: |
41.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.414 |
15 |
52 |
|
D |
3 |
2 |
9708 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
9708 |
41.4 |
-0.9 |
0.184 |
0 |
0 |
0 |
0.000 |
16 |
53 |
|
E |
6 |
3 |
9710 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
9716 |
33.7 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
17 |
54 |
|
[ADE]H:601 |
2 |
1 |
271 |
◊ |
[ADE]F:601 |
x,y,z |
1_555 |
2 |
1 |
271 |
32.7 |
1.6 |
0.550 |
0 |
0 |
0 |
0.000 |
18 |
55 |
|
[ADE]D:601 |
2 |
1 |
272 |
◊ |
[ADE]B:601 |
x,y,z |
1_555 |
2 |
1 |
270 |
32.3 |
1.6 |
0.550 |
0 |
0 |
0 |
0.000 |
56 |
|
[ADE]G:601 |
2 |
1 |
270 |
◊ |
[ADE]E:601 |
x,y,z |
1_555 |
2 |
1 |
269 |
32.3 |
1.5 |
0.550 |
0 |
0 |
0 |
0.000 |
57 |
|
[ADE]C:601 |
2 |
1 |
269 |
◊ |
[ADE]A:601 |
x,y,z |
1_555 |
2 |
1 |
269 |
31.0 |
1.5 |
0.550 |
0 |
0 |
0 |
0.000 |
Average: |
31.9 |
1.6 |
0.550 |
0 |
0 |
0 |
0.000 |
19 |
58 |
|
G |
3 |
1 |
10355 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9716 |
29.8 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
20 |
59 |
|
[MN]B:302 |
1 |
1 |
123 |
f |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
21 |
60 |
|
[MN]F:302 |
1 |
1 |
123 |
f |
[CA]F:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
61 |
|
[MN]H:302 |
1 |
1 |
123 |
f |
[CA]H:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
23 |
62 |
|
[MN]E:302 |
1 |
1 |
123 |
f |
[CA]E:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
24 |
63 |
|
[MN]A:302 |
1 |
1 |
123 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
64 |
|
[MN]G:302 |
1 |
1 |
123 |
f |
[CA]G:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.038 |
26 |
65 |
|
[MN]D:302 |
1 |
1 |
123 |
f |
[CA]D:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
27 |
66 |
|
[MN]C:302 |
1 |
1 |
123 |
f |
[CA]C:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
28 |
67 |
|
A |
2 |
1 |
10366 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
9710 |
9.1 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
29 |
68 |
|
H |
1 |
1 |
10468 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
9710 |
2.0 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
69 |
|
D |
1 |
1 |
9708 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10366 |
1.7 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
1 |
1 |
9716 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10478 |
1.2 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
1 |
1 |
10355 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9699 |
0.3 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
|