## |
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 |
|
D |
173 |
48 |
15548 |
◊ |
C |
x,y,z |
1_555 |
172 |
48 |
15389 |
1587.0 |
-17.4 |
0.144 |
21 |
0 |
0 |
0.201 |
2 |
|
B |
173 |
48 |
15513 |
◊ |
A |
x,y,z |
1_555 |
171 |
48 |
15422 |
1583.7 |
-17.6 |
0.132 |
20 |
0 |
0 |
0.201 |
Average: |
1585.3 |
-17.5 |
0.138 |
21 |
0 |
0 |
0.201 |
2 |
3 |
|
[NAI]C:377 |
42 |
1 |
869 |
f |
C |
x,y,z |
1_555 |
73 |
34 |
15389 |
594.0 |
-10.3 |
0.225 |
13 |
0 |
0 |
0.238 |
4 |
|
[NAI]D:377 |
42 |
1 |
865 |
f |
D |
x,y,z |
1_555 |
73 |
36 |
15548 |
591.1 |
-10.5 |
0.218 |
13 |
0 |
0 |
0.238 |
5 |
|
[NAI]A:377 |
43 |
1 |
865 |
f |
A |
x,y,z |
1_555 |
74 |
34 |
15422 |
591.1 |
-10.4 |
0.227 |
12 |
0 |
0 |
0.238 |
6 |
|
[NAI]B:377 |
42 |
1 |
864 |
f |
B |
x,y,z |
1_555 |
74 |
36 |
15513 |
589.6 |
-10.4 |
0.220 |
12 |
0 |
0 |
0.238 |
Average: |
591.4 |
-10.4 |
0.223 |
13 |
0 |
0 |
0.238 |
3 |
7 |
|
B |
51 |
14 |
15513 |
◊ |
C |
x-1,y,z |
1_455 |
50 |
15 |
15389 |
452.6 |
3.9 |
0.907 |
7 |
4 |
0 |
0.000 |
4 |
8 |
|
A |
37 |
10 |
15422 |
◊ |
D |
x,y,z-1 |
1_554 |
37 |
10 |
15548 |
343.0 |
1.4 |
0.802 |
3 |
2 |
0 |
0.000 |
5 |
9 |
|
C |
26 |
9 |
15389 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
5 |
15548 |
229.2 |
-2.4 |
0.348 |
1 |
1 |
0 |
0.000 |
10 |
|
A |
17 |
6 |
15422 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
15513 |
164.4 |
-0.4 |
0.603 |
0 |
1 |
0 |
0.000 |
Average: |
196.8 |
-1.4 |
0.476 |
1 |
1 |
0 |
0.000 |
6 |
11 |
|
B |
19 |
8 |
15513 |
◊ |
D |
x-1,y,z-1 |
1_454 |
17 |
5 |
15548 |
179.2 |
-0.7 |
0.574 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
20 |
9 |
15548 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
15513 |
168.8 |
1.1 |
0.782 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[NMH]C:378 |
10 |
1 |
348 |
f |
C |
x,y,z |
1_555 |
31 |
14 |
15389 |
168.1 |
1.6 |
0.132 |
2 |
0 |
0 |
0.000 |
14 |
|
[NMH]B:378 |
10 |
1 |
348 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
15513 |
167.7 |
1.6 |
0.145 |
2 |
0 |
0 |
0.000 |
15 |
|
[NMH]A:378 |
10 |
1 |
348 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
15422 |
167.2 |
1.6 |
0.134 |
2 |
0 |
0 |
0.000 |
16 |
|
[NMH]D:378 |
10 |
1 |
350 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
15548 |
165.5 |
1.8 |
0.132 |
2 |
0 |
0 |
0.000 |
Average: |
167.1 |
1.7 |
0.136 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
A |
20 |
6 |
15422 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
6 |
15548 |
154.9 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
16 |
5 |
15389 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
4 |
15513 |
122.2 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
Average: |
138.6 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
C |
20 |
6 |
15389 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
15513 |
152.8 |
0.1 |
0.670 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
18 |
5 |
15422 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
15548 |
146.5 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
149.7 |
-0.3 |
0.627 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
C |
17 |
6 |
15389 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
15422 |
142.8 |
0.8 |
0.723 |
2 |
2 |
0 |
0.000 |
12 |
22 |
|
A |
15 |
6 |
15422 |
◊ |
C |
x-1,y,z-1 |
1_454 |
19 |
9 |
15389 |
141.4 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[MPD]B:2001 |
6 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15513 |
93.5 |
-5.0 |
0.825 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[MPD]B:2001 |
4 |
1 |
277 |
f |
C |
x-1,y,z |
1_455 |
14 |
4 |
15389 |
91.5 |
-5.4 |
0.752 |
1 |
0 |
0 |
0.042 |
15 |
25 |
|
D |
7 |
2 |
15548 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
4 |
15389 |
66.2 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[NMH]D:378 |
9 |
1 |
350 |
f |
[NAI]D:377 |
x,y,z |
1_555 |
10 |
1 |
865 |
65.3 |
0.4 |
0.074 |
0 |
0 |
0 |
0.000 |
27 |
|
[NMH]B:378 |
9 |
1 |
348 |
f |
[NAI]B:377 |
x,y,z |
1_555 |
11 |
1 |
864 |
65.2 |
0.4 |
0.079 |
0 |
0 |
0 |
0.000 |
28 |
|
[NMH]A:378 |
9 |
1 |
348 |
f |
[NAI]A:377 |
x,y,z |
1_555 |
10 |
1 |
865 |
64.1 |
0.5 |
0.082 |
0 |
0 |
0 |
0.000 |
29 |
|
[NMH]C:378 |
9 |
1 |
348 |
f |
[NAI]C:377 |
x,y,z |
1_555 |
10 |
1 |
869 |
63.9 |
0.5 |
0.072 |
0 |
0 |
0 |
0.000 |
Average: |
64.6 |
0.5 |
0.077 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[NMH]D:378 |
4 |
1 |
350 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
15389 |
55.6 |
1.2 |
0.295 |
0 |
0 |
0 |
0.000 |
31 |
|
[NMH]B:378 |
4 |
1 |
348 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15422 |
55.6 |
1.3 |
0.332 |
0 |
0 |
0 |
0.000 |
32 |
|
[NMH]A:378 |
4 |
1 |
348 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
15513 |
55.6 |
1.3 |
0.322 |
0 |
0 |
0 |
0.000 |
33 |
|
[NMH]C:378 |
4 |
1 |
348 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
15548 |
54.9 |
1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
Average: |
55.4 |
1.3 |
0.325 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
C |
4 |
2 |
15389 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15513 |
39.6 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
2 |
1 |
15422 |
◊ |
D |
x-1,y,z-1 |
1_454 |
5 |
2 |
15548 |
34.5 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
[ZN]B:375 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15513 |
30.3 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.356 |
37 |
|
[ZN]C:375 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
15389 |
30.3 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.356 |
38 |
|
[ZN]D:375 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
15548 |
30.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.356 |
39 |
|
[ZN]A:375 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
15422 |
30.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.356 |
Average: |
30.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.356 |
21 |
40 |
|
[NMH]D:378 |
2 |
1 |
350 |
f |
[ZN]D:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.132 |
41 |
|
[NMH]C:378 |
2 |
1 |
348 |
f |
[ZN]C:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.132 |
42 |
|
[NMH]B:378 |
2 |
1 |
348 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.132 |
43 |
|
[NMH]A:378 |
2 |
1 |
348 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
21.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.132 |
22 |
44 |
|
[NAI]D:377 |
2 |
1 |
865 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15389 |
20.9 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAI]B:377 |
2 |
1 |
864 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15422 |
20.9 |
-0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAI]C:377 |
2 |
1 |
869 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15548 |
20.9 |
-0.0 |
0.383 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAI]A:377 |
2 |
1 |
865 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15513 |
20.6 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
Average: |
20.9 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
[NAI]A:377 |
3 |
1 |
865 |
f |
[ZN]A:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.110 |
49 |
|
[NAI]C:377 |
3 |
1 |
869 |
f |
[ZN]C:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.110 |
50 |
|
[NAI]D:377 |
3 |
1 |
865 |
f |
[ZN]D:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
51 |
|
[NAI]B:377 |
3 |
1 |
864 |
f |
[ZN]B:375 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
19.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.110 |
|