## |
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 |
|
B |
107 |
31 |
11184 |
◊ |
A |
x,y,z |
1_555 |
112 |
31 |
11215 |
1132.3 |
-13.9 |
0.214 |
7 |
0 |
0 |
0.685 |
2 |
2 |
|
B |
82 |
26 |
11184 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
84 |
28 |
11215 |
767.0 |
-2.6 |
0.710 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
D |
30 |
8 |
1346 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
11184 |
341.9 |
-6.2 |
0.234 |
2 |
2 |
0 |
0.358 |
4 |
|
C |
33 |
8 |
1376 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
11215 |
334.7 |
-6.5 |
0.219 |
1 |
1 |
0 |
0.358 |
Average: |
338.3 |
-6.4 |
0.227 |
2 |
2 |
0 |
0.358 |
4 |
5 |
|
[YJD]A:1498 |
20 |
1 |
477 |
f |
A |
x,y,z |
1_555 |
45 |
21 |
11215 |
331.4 |
-2.6 |
0.408 |
3 |
0 |
0 |
0.315 |
6 |
|
[YJD]B:1498 |
20 |
1 |
472 |
f |
B |
x,y,z |
1_555 |
46 |
21 |
11184 |
327.0 |
-2.6 |
0.428 |
3 |
0 |
0 |
0.315 |
Average: |
329.2 |
-2.6 |
0.418 |
3 |
0 |
0 |
0.315 |
5 |
7 |
|
A |
37 |
10 |
11215 |
◊ |
D |
-y,x,z |
3_555 |
25 |
4 |
1346 |
256.0 |
-5.9 |
0.249 |
0 |
1 |
0 |
0.236 |
8 |
|
C |
25 |
4 |
1376 |
◊ |
B |
-y,x,z |
3_555 |
33 |
7 |
11184 |
233.3 |
-5.2 |
0.299 |
0 |
1 |
0 |
0.236 |
Average: |
244.6 |
-5.5 |
0.274 |
0 |
1 |
0 |
0.236 |
6 |
9 |
|
A |
34 |
7 |
11215 |
x |
A |
-y,x,z |
3_555 |
25 |
8 |
11215 |
252.1 |
0.8 |
0.795 |
3 |
4 |
0 |
0.033 |
10 |
|
B |
23 |
12 |
11184 |
x |
B |
-y,x,z |
3_555 |
30 |
9 |
11184 |
233.3 |
-0.7 |
0.689 |
1 |
2 |
0 |
0.033 |
Average: |
242.7 |
0.1 |
0.742 |
2 |
3 |
0 |
0.033 |
7 |
11 |
|
[MK8]D:6 |
7 |
1 |
322 |
cf |
D |
x,y,z |
1_555 |
17 |
5 |
1346 |
110.6 |
-0.7 |
0.859 |
2 |
0 |
0 |
0.082 |
12 |
|
[MK8]C:6 |
7 |
1 |
322 |
cf |
C |
x,y,z |
1_555 |
17 |
5 |
1376 |
108.7 |
-0.7 |
0.869 |
2 |
0 |
0 |
0.082 |
Average: |
109.7 |
-0.7 |
0.864 |
2 |
0 |
0 |
0.082 |
8 |
13 |
|
[MK8]C:6 |
7 |
1 |
322 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11215 |
94.3 |
-1.7 |
0.590 |
1 |
0 |
0 |
0.113 |
14 |
|
[MK8]D:6 |
6 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11184 |
93.3 |
-2.4 |
0.373 |
0 |
0 |
0 |
0.113 |
Average: |
93.8 |
-2.0 |
0.481 |
1 |
0 |
0 |
0.113 |
9 |
15 |
|
[MK8]C:2 |
6 |
1 |
317 |
cf |
C |
x,y,z |
1_555 |
12 |
4 |
1376 |
93.9 |
-0.7 |
0.796 |
0 |
0 |
0 |
0.037 |
10 |
16 |
|
[MK8]D:2 |
6 |
1 |
316 |
cf |
D |
x,y,z |
1_555 |
13 |
3 |
1346 |
91.5 |
-0.8 |
0.797 |
1 |
0 |
0 |
0.057 |
11 |
17 |
|
[MK8]D:2 |
6 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11184 |
84.3 |
-1.4 |
0.633 |
1 |
0 |
0 |
0.090 |
18 |
|
[MK8]C:2 |
6 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11215 |
77.6 |
-1.8 |
0.551 |
0 |
0 |
0 |
0.090 |
Average: |
80.9 |
-1.6 |
0.592 |
1 |
0 |
0 |
0.090 |
12 |
19 |
|
[MK8]C:6 |
5 |
1 |
322 |
cf |
[MK8]C:2 |
x,y,z |
1_555 |
6 |
1 |
317 |
71.3 |
-1.1 |
0.858 |
1 |
0 |
0 |
0.080 |
20 |
|
[MK8]D:6 |
5 |
1 |
322 |
cf |
[MK8]D:2 |
x,y,z |
1_555 |
6 |
1 |
316 |
69.9 |
-1.2 |
0.855 |
1 |
0 |
0 |
0.080 |
Average: |
70.6 |
-1.2 |
0.856 |
1 |
0 |
0 |
0.080 |
13 |
21 |
|
A |
7 |
3 |
11215 |
◊ |
B |
-y,x,z |
3_555 |
12 |
3 |
11184 |
68.7 |
-1.7 |
0.285 |
0 |
0 |
0 |
0.028 |
14 |
22 |
|
[ACE]D:0 |
3 |
1 |
170 |
cf |
D |
x,y,z |
1_555 |
12 |
3 |
1346 |
59.3 |
-0.5 |
0.770 |
0 |
0 |
0 |
0.026 |
15 |
23 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
10 |
3 |
1376 |
58.8 |
-0.5 |
0.765 |
0 |
0 |
0 |
0.028 |
16 |
24 |
|
[ACE]D:0 |
3 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11184 |
55.9 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.034 |
17 |
25 |
|
[NH2]D:12 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
1346 |
49.1 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]C:12 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
1376 |
48.8 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
48.9 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11215 |
42.6 |
-0.6 |
0.596 |
0 |
0 |
0 |
0.029 |
19 |
28 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
B |
-y,x,z |
3_555 |
6 |
4 |
11184 |
34.9 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.018 |
20 |
29 |
|
A |
3 |
1 |
11215 |
◊ |
[MK8]D:2 |
-y,x,z |
3_555 |
4 |
1 |
316 |
32.2 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.017 |
21 |
30 |
|
C |
2 |
1 |
1376 |
◊ |
D |
-y,x,z |
3_555 |
2 |
1 |
1346 |
31.5 |
-1.0 |
0.220 |
0 |
0 |
0 |
0.017 |
22 |
31 |
|
[MK8]C:2 |
3 |
1 |
317 |
◊ |
B |
-y,x,z |
3_555 |
3 |
1 |
11184 |
28.3 |
-0.7 |
0.415 |
0 |
0 |
0 |
0.014 |
23 |
32 |
|
B |
5 |
3 |
11184 |
◊ |
A |
-y-1,x,z |
3_455 |
9 |
3 |
11215 |
24.9 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
A |
4 |
3 |
11215 |
◊ |
[ACE]D:0 |
-y,x,z |
3_555 |
3 |
1 |
170 |
22.1 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.010 |
25 |
34 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
[ACE]D:0 |
-y,x,z |
3_555 |
1 |
1 |
170 |
17.0 |
-0.5 |
0.667 |
0 |
0 |
0 |
0.009 |
26 |
35 |
|
[MK8]C:2 |
1 |
1 |
317 |
f |
[ACE]C:0 |
x,y,z |
1_555 |
2 |
1 |
171 |
16.5 |
0.0 |
0.882 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[MK8]D:2 |
1 |
1 |
316 |
f |
[ACE]D:0 |
x,y,z |
1_555 |
2 |
1 |
170 |
14.0 |
0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
D |
-y,x,z |
3_555 |
1 |
1 |
1346 |
0.8 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
|