## |
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 |
81 |
27 |
6398 |
x |
B |
-y,x,z |
3_555 |
82 |
25 |
6398 |
808.7 |
-14.9 |
0.573 |
5 |
6 |
0 |
0.068 |
2 |
|
A |
80 |
25 |
6128 |
x |
A |
-y,x,z |
3_555 |
81 |
26 |
6128 |
802.0 |
-14.8 |
0.695 |
5 |
6 |
0 |
0.068 |
Average: |
805.3 |
-14.9 |
0.634 |
5 |
6 |
0 |
0.068 |
2 |
3 |
|
B |
23 |
10 |
6398 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
26 |
10 |
6128 |
289.5 |
-7.5 |
0.238 |
0 |
0 |
0 |
0.146 |
3 |
4 |
|
B |
32 |
7 |
6398 |
◊ |
A |
-y-1/2,x+1/2,z-1/2 |
7_454 |
28 |
7 |
6128 |
260.8 |
-1.8 |
0.914 |
4 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
20 |
7 |
6398 |
◊ |
A |
-y-1/2,x-1/2,z-1/2 |
7_444 |
22 |
7 |
6128 |
191.1 |
-1.4 |
0.783 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[MPD]A:503 |
6 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
6128 |
135.0 |
-9.6 |
0.802 |
0 |
0 |
0 |
0.187 |
6 |
7 |
|
[MPD]A:501 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6128 |
111.1 |
-7.7 |
0.737 |
0 |
0 |
0 |
0.148 |
7 |
8 |
|
B |
12 |
4 |
6398 |
f |
[MPD]B:502 |
-y,x,z |
3_555 |
7 |
1 |
278 |
106.9 |
-7.4 |
0.668 |
0 |
0 |
0 |
0.144 |
8 |
9 |
|
B |
12 |
4 |
6398 |
◊ |
[MPD]A:501 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
7 |
1 |
272 |
105.5 |
-6.9 |
0.818 |
0 |
0 |
0 |
0.134 |
9 |
10 |
|
[MPD]B:505 |
6 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
6398 |
104.3 |
-6.8 |
0.786 |
0 |
0 |
0 |
0.025 |
10 |
11 |
|
[MPD]B:502 |
6 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
6398 |
103.8 |
-7.2 |
0.659 |
0 |
0 |
0 |
0.027 |
11 |
12 |
|
[MPD]B:504 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
6398 |
103.7 |
-6.4 |
0.898 |
1 |
0 |
0 |
0.025 |
12 |
13 |
|
[MPD]B:504 |
5 |
1 |
276 |
f |
B |
-y,x,z |
3_555 |
15 |
5 |
6398 |
100.9 |
-7.0 |
0.806 |
0 |
0 |
0 |
0.136 |
13 |
14 |
|
B |
8 |
4 |
6398 |
◊ |
A |
-x,-y,z-1 |
2_554 |
8 |
4 |
6128 |
97.6 |
-1.5 |
0.532 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
A |
12 |
5 |
6128 |
◊ |
B |
-y,x,z+1 |
3_556 |
8 |
3 |
6398 |
84.2 |
0.6 |
0.919 |
1 |
1 |
0 |
0.000 |
15 |
16 |
|
[MPD]A:503 |
6 |
1 |
281 |
◊ |
A |
-y,x,z |
3_555 |
10 |
3 |
6128 |
81.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.021 |
16 |
17 |
|
B |
12 |
5 |
6398 |
f |
[MPD]B:505 |
-y,x,z |
3_555 |
5 |
1 |
277 |
78.2 |
-5.5 |
0.818 |
0 |
0 |
0 |
0.106 |
17 |
18 |
|
[K]B:3 |
1 |
1 |
216 |
f |
[K]B:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
63.4 |
-63.4 |
0.000 |
0 |
0 |
0 |
0.059 |
18 |
19 |
|
[K]A:7 |
1 |
1 |
216 |
f |
[K]A:6 |
x,y,z |
1_555 |
1 |
1 |
216 |
63.2 |
-63.2 |
0.000 |
0 |
0 |
0 |
0.060 |
19 |
20 |
|
[K]B:4 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
6398 |
60.4 |
-39.0 |
0.000 |
0 |
0 |
0 |
0.148 |
21 |
|
[K]A:8 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
6128 |
60.4 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
60.4 |
-39.1 |
0.000 |
0 |
0 |
0 |
0.148 |
20 |
22 |
|
[K]B:4 |
1 |
1 |
216 |
f |
[K]B:3 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.4 |
-58.4 |
0.000 |
0 |
0 |
0 |
0.054 |
21 |
23 |
|
[K]A:8 |
1 |
1 |
216 |
f |
[K]A:7 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.2 |
-58.2 |
0.000 |
0 |
0 |
0 |
0.055 |
22 |
24 |
|
[K]B:2 |
1 |
1 |
216 |
f |
[K]B:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.2 |
-58.2 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
25 |
|
[K]A:6 |
1 |
1 |
216 |
f |
[K]A:5 |
x,y,z |
1_555 |
1 |
1 |
216 |
58.2 |
-58.2 |
0.000 |
0 |
0 |
0 |
0.055 |
24 |
26 |
|
[K]B:3 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
4 |
6398 |
55.1 |
-37.8 |
0.000 |
0 |
0 |
0 |
0.288 |
27 |
|
[K]A:7 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
4 |
6128 |
54.8 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.288 |
28 |
|
[K]B:2 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
10 |
3 |
6398 |
54.2 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.288 |
29 |
|
[K]A:6 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
3 |
6128 |
54.0 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.288 |
Average: |
54.5 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.288 |
25 |
30 |
|
B |
6 |
1 |
6398 |
◊ |
A |
x-1/2,y+1/2,z-1/2 |
5_454 |
6 |
2 |
6128 |
53.5 |
1.0 |
0.916 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[K]A:5 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
4 |
6128 |
50.9 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.137 |
32 |
|
[K]B:1 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
10 |
4 |
6398 |
50.8 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
50.8 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.137 |
27 |
33 |
|
[MPD]B:504 |
5 |
1 |
276 |
◊ |
[MPD]B:505 |
-y,x,z |
3_555 |
3 |
1 |
277 |
29.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
34 |
|
[K]A:9 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
6128 |
23.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.046 |
29 |
35 |
|
[K]B:3 |
1 |
1 |
216 |
f |
[K]B:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.5 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.021 |
30 |
36 |
|
[K]A:7 |
1 |
1 |
216 |
f |
[K]A:5 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.021 |
31 |
37 |
|
[K]B:4 |
1 |
1 |
216 |
f |
[K]B:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
38 |
|
[K]A:8 |
1 |
1 |
216 |
f |
[K]A:6 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.021 |
33 |
39 |
|
A |
5 |
4 |
6128 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
4 |
6128 |
20.6 |
0.5 |
0.935 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
5 |
4 |
6398 |
◊ |
B |
-x,-y,z |
2_555 |
5 |
4 |
6398 |
20.4 |
0.5 |
0.916 |
0 |
0 |
0 |
0.000 |
Average: |
20.5 |
0.5 |
0.925 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[K]A:9 |
1 |
1 |
216 |
f |
[K]A:8 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.9 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
42 |
|
B |
2 |
2 |
6398 |
x |
B |
-y-1/2,x+1/2,z-1/2 |
7_454 |
3 |
2 |
6398 |
5.0 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
|