## |
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 |
131 |
34 |
6640 |
◊ |
A |
x,y,z |
1_555 |
119 |
30 |
6567 |
1114.0 |
-12.1 |
0.264 |
16 |
0 |
0 |
0.347 |
2 |
|
C |
118 |
30 |
6572 |
◊ |
A |
x,y,z |
1_555 |
124 |
33 |
6567 |
1106.6 |
-12.2 |
0.295 |
16 |
0 |
0 |
0.347 |
3 |
|
C |
124 |
34 |
6572 |
◊ |
B |
x,y,z |
1_555 |
117 |
29 |
6640 |
1082.6 |
-12.3 |
0.304 |
17 |
0 |
0 |
0.347 |
Average: |
1101.1 |
-12.2 |
0.288 |
16 |
0 |
0 |
0.347 |
2 |
4 |
|
B |
43 |
12 |
6640 |
◊ |
B |
y-1,x+1,-z+1 |
4_466 |
43 |
12 |
6640 |
372.3 |
0.3 |
0.790 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
45 |
11 |
6640 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
37 |
12 |
6567 |
370.5 |
-0.8 |
0.651 |
5 |
7 |
0 |
0.005 |
4 |
6 |
|
B |
34 |
11 |
6640 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
35 |
12 |
6567 |
354.6 |
-2.3 |
0.479 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[LE3]B:200 |
10 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
32 |
9 |
6640 |
197.4 |
-2.3 |
0.374 |
1 |
0 |
0 |
0.016 |
6 |
8 |
|
[LE3]A:200 |
10 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
33 |
10 |
6567 |
194.3 |
-1.0 |
0.475 |
2 |
0 |
0 |
0.019 |
9 |
|
[LE3]C:200 |
7 |
1 |
284 |
cf |
C |
x,y,z |
1_555 |
31 |
10 |
6572 |
181.4 |
-0.9 |
0.450 |
1 |
0 |
0 |
0.019 |
Average: |
187.9 |
-1.0 |
0.462 |
2 |
0 |
0 |
0.019 |
7 |
10 |
|
C |
17 |
5 |
6572 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
23 |
7 |
6567 |
170.1 |
1.1 |
0.844 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
11 |
4 |
6640 |
◊ |
A |
y-1,x+1,-z+1 |
4_466 |
9 |
4 |
6567 |
77.6 |
1.2 |
0.805 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[CL]B:701 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6640 |
65.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.172 |
13 |
|
[CL]C:703 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6572 |
64.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.172 |
14 |
|
[CL]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6567 |
64.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
64.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.172 |
10 |
15 |
|
[CL]A:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6567 |
61.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.163 |
16 |
|
[CL]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6640 |
61.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.163 |
17 |
|
[CL]C:705 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6572 |
60.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
61.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.163 |
11 |
18 |
|
B |
8 |
3 |
6640 |
x |
C |
-y,x-y+1,z+1/3 |
2_565 |
5 |
3 |
6572 |
55.5 |
0.3 |
0.721 |
1 |
0 |
0 |
0.000 |
19 |
|
A |
5 |
3 |
6567 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
7 |
4 |
6567 |
35.7 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
45.6 |
0.0 |
0.648 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[SO4]A:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6567 |
55.2 |
-7.2 |
0.662 |
1 |
0 |
0 |
0.046 |
13 |
21 |
|
[CL]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6567 |
52.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.043 |
14 |
22 |
|
A |
5 |
1 |
6567 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
5 |
1 |
6572 |
50.6 |
0.8 |
0.833 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[LE3]B:200 |
3 |
1 |
356 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
6 |
3 |
6567 |
49.0 |
1.5 |
0.654 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[NA]C:801 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6572 |
46.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.094 |
25 |
|
[NA]B:803 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6640 |
45.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.094 |
26 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6567 |
44.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
45.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.094 |
17 |
27 |
|
B |
5 |
2 |
6640 |
◊ |
[LE3]A:200 |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
356 |
46.1 |
0.5 |
0.574 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[LE3]C:200 |
5 |
1 |
284 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
6640 |
41.7 |
0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
29 |
|
[LE3]A:200 |
5 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
6572 |
36.3 |
0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
39.0 |
0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[LE3]B:200 |
6 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
6567 |
40.4 |
0.0 |
0.522 |
1 |
0 |
0 |
0.002 |
20 |
31 |
|
B |
2 |
1 |
6640 |
◊ |
[SO4]A:901 |
x-y,-y+1,-z+2/3 |
5_565 |
3 |
1 |
185 |
35.6 |
-3.4 |
0.981 |
2 |
0 |
0 |
0.005 |
21 |
32 |
|
A |
3 |
1 |
6567 |
◊ |
[LE3]A:200 |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
356 |
34.8 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[CL]A:704 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6572 |
26.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
23 |
34 |
|
[LE3]B:200 |
2 |
1 |
356 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
6572 |
25.4 |
0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
B |
3 |
2 |
6640 |
◊ |
[CL]A:704 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
125 |
22.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.003 |
25 |
36 |
|
C |
3 |
3 |
6572 |
◊ |
[SO4]A:901 |
x-y,-y+1,-z+2/3 |
5_565 |
3 |
1 |
185 |
20.6 |
-2.3 |
0.896 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[NA]C:801 |
1 |
1 |
125 |
f |
[CL]C:703 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
38 |
|
[NA]B:803 |
1 |
1 |
125 |
f |
[CL]B:701 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
39 |
|
[NA]A:804 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
6567 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.030 |
40 |
|
[NA]A:804 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6572 |
18.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.030 |
41 |
|
[NA]A:804 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6640 |
17.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
18.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
42 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
[CL]A:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.021 |
30 |
43 |
|
[CL]B:701 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6567 |
8.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
|
[CL]A:702 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6572 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
45 |
|
[CL]C:703 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6640 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
31 |
46 |
|
C |
1 |
1 |
6572 |
◊ |
[CL]A:704 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
125 |
5.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[NA]C:801 |
1 |
1 |
125 |
◊ |
[CL]A:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|