## |
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 |
207 |
52 |
13939 |
◊ |
A |
x,y,z |
1_555 |
216 |
54 |
14257 |
2103.6 |
-43.6 |
0.001 |
2 |
0 |
0 |
0.595 |
2 |
|
E |
170 |
44 |
13796 |
◊ |
E |
-x,-x+y,-z-2/3 |
6_554 |
167 |
44 |
13796 |
1671.3 |
-33.3 |
0.006 |
4 |
0 |
0 |
0.595 |
Average: |
1887.5 |
-38.4 |
0.003 |
3 |
0 |
0 |
0.595 |
2 |
3 |
|
F |
117 |
33 |
6331 |
◊ |
E |
x,y,z |
1_555 |
104 |
29 |
13796 |
1053.4 |
-12.4 |
0.176 |
12 |
2 |
0 |
0.452 |
4 |
|
C |
115 |
32 |
6659 |
◊ |
A |
x,y,z |
1_555 |
102 |
29 |
14257 |
1027.5 |
-12.3 |
0.166 |
10 |
3 |
0 |
0.452 |
5 |
|
D |
98 |
26 |
6447 |
◊ |
B |
x,y,z |
1_555 |
90 |
29 |
13939 |
881.7 |
-11.0 |
0.182 |
9 |
0 |
0 |
0.452 |
Average: |
987.5 |
-11.9 |
0.175 |
10 |
2 |
0 |
0.452 |
3 |
6 |
|
B |
52 |
16 |
13939 |
◊ |
E |
x-y-1,-y-1,-z-1/3 |
5_444 |
46 |
14 |
13796 |
410.9 |
1.0 |
0.822 |
5 |
1 |
0 |
0.000 |
4 |
7 |
|
[ACP]B:401 |
31 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
13939 |
392.8 |
-1.4 |
0.622 |
8 |
0 |
0 |
0.149 |
8 |
|
[ACP]E:401 |
31 |
1 |
599 |
f |
E |
x,y,z |
1_555 |
59 |
23 |
13796 |
392.7 |
-0.8 |
0.657 |
9 |
0 |
0 |
0.149 |
9 |
|
[ACP]A:401 |
31 |
1 |
596 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
14257 |
387.9 |
-1.5 |
0.592 |
8 |
0 |
0 |
0.149 |
Average: |
391.1 |
-1.2 |
0.624 |
8 |
0 |
0 |
0.149 |
5 |
10 |
|
C |
41 |
12 |
6659 |
◊ |
C |
x-y-1,-y-2,-z-1/3 |
5_434 |
41 |
12 |
6659 |
388.6 |
-4.3 |
0.310 |
2 |
0 |
0 |
0.094 |
6 |
11 |
|
F |
34 |
10 |
6331 |
◊ |
E |
-x,-x+y,-z-2/3 |
6_554 |
30 |
11 |
13796 |
320.2 |
0.8 |
0.633 |
5 |
3 |
0 |
0.046 |
12 |
|
D |
28 |
8 |
6447 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
14257 |
273.5 |
-1.9 |
0.397 |
3 |
2 |
0 |
0.046 |
13 |
|
C |
25 |
8 |
6659 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
13939 |
248.6 |
-1.4 |
0.427 |
3 |
2 |
0 |
0.046 |
Average: |
280.8 |
-0.8 |
0.485 |
4 |
2 |
0 |
0.046 |
7 |
14 |
|
F |
34 |
8 |
6331 |
◊ |
D |
-x-1,-x+y-1,-z-2/3 |
6_444 |
34 |
11 |
6447 |
317.7 |
-4.3 |
0.283 |
3 |
0 |
0 |
0.000 |
8 |
15 |
|
F |
23 |
10 |
6331 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
14257 |
214.2 |
1.7 |
0.837 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
18 |
5 |
6659 |
◊ |
E |
x,y,z |
1_555 |
25 |
5 |
13796 |
189.9 |
-1.8 |
0.467 |
1 |
0 |
0 |
0.011 |
10 |
17 |
|
B |
19 |
5 |
13939 |
◊ |
E |
x-y-2,-y-2,-z-1/3 |
5_334 |
12 |
6 |
13796 |
161.7 |
-2.8 |
0.152 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
F |
16 |
4 |
6331 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
6659 |
120.4 |
0.0 |
0.657 |
1 |
2 |
0 |
0.003 |
12 |
19 |
|
B |
9 |
3 |
13939 |
◊ |
D |
x-1,y-1,z |
1_445 |
13 |
7 |
6447 |
111.4 |
-1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[MES]A:403 |
9 |
1 |
340 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
6331 |
109.3 |
2.1 |
0.116 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
A |
9 |
4 |
14257 |
◊ |
D |
-x-1,-x+y-1,-z-2/3 |
6_444 |
12 |
5 |
6447 |
98.1 |
2.1 |
0.845 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[BEF]D:202 |
4 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
6447 |
89.6 |
2.3 |
0.645 |
6 |
0 |
0 |
0.010 |
16 |
23 |
|
[MES]A:403 |
11 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
14257 |
86.9 |
2.4 |
0.036 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[BEF]C:202 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
6659 |
86.3 |
2.4 |
0.637 |
5 |
0 |
0 |
0.000 |
25 |
|
[BEF]F:202 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
6331 |
84.6 |
2.4 |
0.645 |
5 |
0 |
0 |
0.000 |
Average: |
85.5 |
2.4 |
0.641 |
5 |
0 |
0 |
0.000 |
18 |
26 |
|
B |
8 |
5 |
13939 |
◊ |
E |
-y-1,x-y-1,z+1/3 |
2_445 |
10 |
2 |
13796 |
82.3 |
-0.8 |
0.482 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
D |
10 |
5 |
6447 |
◊ |
E |
x-y-1,-y-1,-z-1/3 |
5_444 |
11 |
6 |
13796 |
79.3 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]C:203 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
6659 |
65.6 |
-7.5 |
0.920 |
1 |
0 |
0 |
0.290 |
21 |
29 |
|
[SO4]C:203 |
4 |
1 |
186 |
f |
C |
x-y-1,-y-2,-z-1/3 |
5_434 |
9 |
3 |
6659 |
62.1 |
-8.6 |
0.682 |
1 |
0 |
0 |
0.331 |
22 |
30 |
|
E |
3 |
1 |
13796 |
x |
E |
-x,-x+y-1,-z-2/3 |
6_544 |
10 |
2 |
13796 |
54.2 |
-1.2 |
0.210 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
B |
3 |
1 |
13939 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
13796 |
40.7 |
0.8 |
0.843 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14257 |
39.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.151 |
33 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13939 |
39.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.151 |
34 |
|
[MG]E:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
13796 |
38.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
39.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.151 |
25 |
35 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
6447 |
37.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.212 |
36 |
|
[MG]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
6331 |
37.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.212 |
37 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
6659 |
37.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.212 |
Average: |
37.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.212 |
26 |
38 |
|
A |
3 |
2 |
14257 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
3 |
13796 |
36.7 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ACP]B:401 |
x,y,z |
1_555 |
4 |
1 |
598 |
33.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.160 |
40 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ACP]A:401 |
x,y,z |
1_555 |
4 |
1 |
596 |
33.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.160 |
41 |
|
[MG]E:402 |
1 |
1 |
98 |
f |
[ACP]E:401 |
x,y,z |
1_555 |
4 |
1 |
599 |
33.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
33.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.160 |
28 |
42 |
|
[BEF]D:202 |
3 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13939 |
29.8 |
0.9 |
0.115 |
2 |
0 |
0 |
0.000 |
29 |
43 |
|
[BEF]C:202 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14257 |
27.2 |
0.8 |
0.115 |
2 |
0 |
0 |
0.002 |
44 |
|
[BEF]F:202 |
3 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
13796 |
26.8 |
0.8 |
0.115 |
2 |
0 |
0 |
0.002 |
Average: |
27.0 |
0.8 |
0.115 |
2 |
0 |
0 |
0.002 |
30 |
45 |
|
B |
4 |
2 |
13939 |
◊ |
F |
-y-1,x-y-1,z+1/3 |
2_445 |
2 |
2 |
6331 |
25.6 |
-0.7 |
0.270 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[BEF]C:202 |
2 |
1 |
188 |
f |
[MG]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.079 |
47 |
|
[BEF]D:202 |
2 |
1 |
189 |
f |
[MG]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.079 |
48 |
|
[BEF]F:202 |
2 |
1 |
187 |
f |
[MG]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
24.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.079 |
32 |
49 |
|
[MG]F:201 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13796 |
13.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14257 |
13.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
51 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13939 |
13.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
13.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
52 |
|
A |
1 |
1 |
14257 |
◊ |
E |
x-y-2,-y-2,-z-1/3 |
5_334 |
1 |
1 |
13796 |
2.1 |
-0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
|