## |
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 |
113 |
10 |
3479 |
◊ |
C |
x,y,z |
1_555 |
159 |
49 |
25158 |
1267.5 |
-4.8 |
0.674 |
25 |
0 |
0 |
1.000 |
2 |
|
F |
113 |
10 |
3475 |
◊ |
B |
x,y,z |
1_555 |
159 |
50 |
27021 |
1266.9 |
-5.7 |
0.546 |
24 |
0 |
0 |
1.000 |
3 |
|
D |
114 |
10 |
3482 |
◊ |
A |
x,y,z |
1_555 |
154 |
49 |
25976 |
1239.3 |
-3.0 |
0.671 |
23 |
0 |
0 |
1.000 |
Average: |
1257.9 |
-4.5 |
0.630 |
24 |
0 |
0 |
1.000 |
2 |
4 |
|
G |
115 |
11 |
3392 |
◊ |
B |
x,y,z |
1_555 |
128 |
38 |
27021 |
1080.9 |
-20.6 |
0.360 |
16 |
0 |
0 |
1.000 |
3 |
5 |
|
I |
114 |
11 |
3416 |
◊ |
C |
x,y,z |
1_555 |
118 |
36 |
25158 |
1074.1 |
-19.1 |
0.405 |
12 |
0 |
0 |
1.000 |
4 |
6 |
|
E |
115 |
12 |
3234 |
◊ |
A |
x,y,z |
1_555 |
121 |
39 |
25976 |
1030.4 |
-17.1 |
0.578 |
14 |
0 |
0 |
1.000 |
5 |
7 |
|
B |
87 |
27 |
27021 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
82 |
24 |
25976 |
756.3 |
-0.2 |
0.630 |
8 |
6 |
0 |
0.241 |
6 |
8 |
|
I |
63 |
14 |
3416 |
◊ |
H |
x,y,z |
1_555 |
63 |
13 |
3479 |
588.8 |
-6.8 |
0.603 |
32 |
0 |
0 |
1.000 |
9 |
|
G |
56 |
14 |
3392 |
◊ |
F |
x,y,z |
1_555 |
60 |
12 |
3475 |
549.8 |
-7.8 |
0.556 |
31 |
0 |
0 |
1.000 |
Average: |
569.3 |
-7.3 |
0.579 |
32 |
0 |
0 |
1.000 |
7 |
10 |
|
D |
56 |
13 |
3482 |
◊ |
E |
x,y,z |
1_555 |
55 |
13 |
3234 |
555.1 |
-8.9 |
0.562 |
32 |
0 |
0 |
1.000 |
8 |
11 |
|
A |
46 |
13 |
25976 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
51 |
13 |
27021 |
480.7 |
-1.4 |
0.475 |
5 |
5 |
0 |
0.000 |
9 |
12 |
|
B |
52 |
14 |
27021 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
13 |
25158 |
458.7 |
0.9 |
0.723 |
7 |
4 |
0 |
0.000 |
10 |
13 |
|
A |
57 |
19 |
25976 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
46 |
16 |
25158 |
446.3 |
0.8 |
0.730 |
6 |
3 |
0 |
0.000 |
11 |
14 |
|
B |
35 |
11 |
27021 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
12 |
25158 |
363.9 |
-0.1 |
0.618 |
6 |
5 |
0 |
0.000 |
12 |
15 |
|
C |
39 |
11 |
25158 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
27021 |
301.3 |
-1.0 |
0.469 |
7 |
0 |
0 |
0.000 |
13 |
16 |
|
A |
22 |
7 |
25976 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
25976 |
177.2 |
0.4 |
0.628 |
1 |
1 |
0 |
0.000 |
14 |
17 |
|
F |
18 |
3 |
3475 |
◊ |
D |
x,y,z |
1_555 |
17 |
2 |
3482 |
123.8 |
-4.0 |
0.350 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
G |
17 |
3 |
3392 |
◊ |
H |
x,y,z |
1_555 |
16 |
3 |
3479 |
117.4 |
-3.0 |
0.410 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
I |
14 |
2 |
3416 |
◊ |
G |
x,y,z |
1_555 |
12 |
1 |
3392 |
115.6 |
3.6 |
0.894 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]C:602 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
25158 |
110.9 |
3.1 |
0.430 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:601 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
25976 |
108.2 |
2.9 |
0.407 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:602 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
27021 |
107.8 |
3.1 |
0.400 |
1 |
0 |
0 |
0.000 |
Average: |
109.0 |
3.0 |
0.412 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
F |
14 |
1 |
3475 |
◊ |
E |
x,y,z |
1_555 |
13 |
1 |
3234 |
104.9 |
2.7 |
0.802 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]B:605 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
27021 |
104.7 |
3.1 |
0.404 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
G |
12 |
2 |
3392 |
◊ |
D |
x,y,z |
1_555 |
11 |
2 |
3482 |
92.5 |
2.6 |
0.778 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:603 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
27021 |
92.4 |
2.8 |
0.296 |
4 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]D:101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
25976 |
85.7 |
1.5 |
0.195 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]I:101 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
15 |
2 |
3416 |
85.1 |
2.3 |
0.489 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]B:604 |
4 |
1 |
185 |
f |
C |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
4 |
25158 |
82.2 |
1.5 |
0.211 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]B:604 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
27021 |
74.7 |
1.1 |
0.191 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
D |
9 |
3 |
3482 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
25976 |
70.0 |
-1.4 |
0.392 |
2 |
0 |
0 |
0.000 |
27 |
32 |
|
H |
10 |
1 |
3479 |
◊ |
F |
x,y,z |
1_555 |
12 |
1 |
3475 |
68.2 |
1.6 |
0.676 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
B |
9 |
3 |
27021 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
25976 |
67.9 |
-0.3 |
0.338 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]G:101 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
13 |
3 |
3392 |
67.3 |
1.9 |
0.295 |
1 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]D:101 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
3482 |
62.7 |
1.0 |
0.652 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]G:101 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
27021 |
59.3 |
1.0 |
0.705 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
G |
8 |
1 |
3392 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25976 |
55.5 |
0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]I:101 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
3479 |
52.0 |
1.3 |
0.817 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
F |
3 |
1 |
3475 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
25158 |
38.4 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]I:101 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
25158 |
17.2 |
0.8 |
0.932 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]B:605 |
2 |
1 |
183 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
25976 |
12.7 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
E |
1 |
1 |
3234 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
25976 |
11.3 |
-0.8 |
0.252 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
E |
1 |
1 |
3234 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
27021 |
8.3 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
|