## |
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 |
210 |
62 |
13247 |
◊ |
A |
x,y,z |
1_555 |
209 |
58 |
13284 |
2051.8 |
-8.6 |
0.466 |
38 |
6 |
0 |
0.381 |
2 |
|
B |
208 |
57 |
13203 |
◊ |
A |
x,y,z |
1_555 |
213 |
62 |
13284 |
2051.7 |
-9.4 |
0.467 |
37 |
6 |
0 |
0.381 |
3 |
|
C |
210 |
57 |
13247 |
◊ |
B |
x,y,z |
1_555 |
213 |
62 |
13203 |
2043.3 |
-10.8 |
0.423 |
35 |
6 |
0 |
0.381 |
Average: |
2049.0 |
-9.6 |
0.452 |
37 |
6 |
0 |
0.381 |
2 |
4 |
|
B |
48 |
15 |
13203 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
52 |
16 |
13284 |
426.3 |
-2.2 |
0.531 |
1 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
38 |
15 |
13247 |
◊ |
C |
x,-y,-z |
4_555 |
38 |
15 |
13247 |
393.8 |
-1.3 |
0.566 |
6 |
0 |
0 |
0.024 |
6 |
|
B |
40 |
15 |
13203 |
◊ |
A |
x,-y,-z |
4_555 |
39 |
15 |
13284 |
387.9 |
-1.3 |
0.584 |
5 |
0 |
0 |
0.024 |
Average: |
390.9 |
-1.3 |
0.575 |
6 |
0 |
0 |
0.024 |
4 |
7 |
|
A |
39 |
12 |
13284 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
39 |
12 |
13284 |
379.0 |
4.4 |
0.941 |
11 |
6 |
0 |
0.000 |
5 |
8 |
|
B |
28 |
7 |
13203 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
16 |
4 |
13284 |
187.3 |
-2.3 |
0.156 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[MRD]C:1254 |
7 |
1 |
274 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
13247 |
147.5 |
2.7 |
0.487 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[MPD]A:1255 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
13284 |
134.6 |
-7.7 |
0.890 |
3 |
0 |
0 |
0.043 |
8 |
11 |
|
[MPD]B:1254 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
13203 |
133.9 |
-7.7 |
0.900 |
3 |
0 |
0 |
0.043 |
9 |
12 |
|
[MPD]A:1254 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
13284 |
130.5 |
-7.1 |
0.874 |
1 |
0 |
0 |
0.036 |
10 |
13 |
|
[MRD]C:1255 |
7 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
13247 |
130.3 |
4.7 |
0.625 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[SO4]C:1256 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13247 |
89.6 |
-11.7 |
0.917 |
5 |
0 |
0 |
0.066 |
12 |
15 |
|
[SO4]B:1255 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13203 |
89.4 |
-11.9 |
0.920 |
6 |
0 |
0 |
0.069 |
13 |
16 |
|
[SO4]A:1256 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13284 |
88.8 |
-11.7 |
0.912 |
5 |
0 |
0 |
0.066 |
14 |
17 |
|
B |
9 |
3 |
13203 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
9 |
3 |
13203 |
79.5 |
0.6 |
0.753 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[MRD]C:1255 |
7 |
1 |
278 |
f |
C |
x,-y,-z |
4_555 |
10 |
4 |
13247 |
73.7 |
0.3 |
0.265 |
4 |
0 |
0 |
0.007 |
16 |
19 |
|
[MPD]A:1254 |
5 |
1 |
278 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
13247 |
68.1 |
-3.6 |
0.829 |
0 |
0 |
0 |
0.017 |
17 |
20 |
|
[MPD]A:1255 |
6 |
1 |
279 |
◊ |
B |
x,-y,-z |
4_555 |
9 |
3 |
13203 |
66.7 |
-3.3 |
0.000 |
3 |
0 |
0 |
0.040 |
21 |
|
[MPD]B:1254 |
6 |
1 |
279 |
◊ |
A |
x,-y,-z |
4_555 |
10 |
3 |
13284 |
65.7 |
-3.4 |
0.000 |
2 |
0 |
0 |
0.040 |
Average: |
66.2 |
-3.3 |
0.000 |
3 |
0 |
0 |
0.040 |
18 |
22 |
|
C |
5 |
3 |
13247 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
5 |
3 |
13247 |
62.7 |
-1.9 |
0.097 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[SO4]A:1259 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13284 |
52.4 |
-6.7 |
0.839 |
3 |
0 |
0 |
0.038 |
20 |
24 |
|
C |
5 |
3 |
13247 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
9 |
3 |
13284 |
51.8 |
-1.6 |
0.108 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]A:1259 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
13247 |
51.6 |
-6.5 |
0.847 |
3 |
0 |
0 |
0.037 |
22 |
26 |
|
[SO4]A:1259 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13203 |
51.6 |
-6.5 |
0.849 |
3 |
0 |
0 |
0.037 |
23 |
27 |
|
[MRD]C:1254 |
4 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
13203 |
46.5 |
1.5 |
0.525 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[MPD]A:1254 |
3 |
1 |
278 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
4 |
1 |
13284 |
38.0 |
-2.0 |
0.731 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[NI]A:1258 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13203 |
36.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.045 |
30 |
|
[NI]A:1258 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
13247 |
35.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.045 |
31 |
|
[NI]A:1258 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
13284 |
34.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
35.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.045 |
26 |
32 |
|
[CA]A:1257 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
13203 |
33.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.072 |
33 |
|
[CA]C:1257 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
13284 |
33.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.072 |
34 |
|
[CA]B:1256 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
10 |
7 |
13247 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
33.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.072 |
27 |
35 |
|
[CA]B:1256 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
13203 |
32.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.103 |
36 |
|
[CA]C:1257 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
13247 |
32.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.103 |
37 |
|
[CA]A:1257 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13284 |
32.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
32.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.103 |
28 |
38 |
|
C |
2 |
1 |
13247 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
13203 |
30.1 |
-1.0 |
0.096 |
0 |
0 |
0 |
0.006 |
39 |
|
A |
2 |
1 |
13284 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
13284 |
29.4 |
-0.9 |
0.099 |
0 |
0 |
0 |
0.006 |
Average: |
29.8 |
-1.0 |
0.098 |
0 |
0 |
0 |
0.006 |
29 |
40 |
|
B |
4 |
2 |
13203 |
◊ |
B |
x,-y,-z |
4_555 |
4 |
2 |
13203 |
24.9 |
0.2 |
0.682 |
1 |
0 |
0 |
0.002 |
41 |
|
C |
4 |
2 |
13247 |
◊ |
A |
x,-y,-z |
4_555 |
5 |
2 |
13284 |
23.4 |
0.2 |
0.668 |
1 |
0 |
0 |
0.002 |
Average: |
24.1 |
0.2 |
0.675 |
1 |
0 |
0 |
0.002 |
30 |
42 |
|
C |
2 |
1 |
13247 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
2 |
1 |
13247 |
18.2 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
C |
3 |
3 |
13247 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
3 |
13284 |
13.0 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[MPD]B:1254 |
1 |
1 |
279 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
13203 |
6.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
33 |
45 |
|
[MRD]C:1255 |
1 |
1 |
278 |
◊ |
A |
x,-y,-z |
4_555 |
1 |
1 |
13284 |
1.2 |
-0.0 |
0.368 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[MPD]A:1255 |
1 |
1 |
279 |
◊ |
C |
x,-y,-z |
4_555 |
1 |
1 |
13247 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|