## |
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 |
|
A |
114 |
39 |
16286 |
x |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
113 |
35 |
16286 |
1028.5 |
-3.5 |
0.636 |
13 |
2 |
0 |
0.000 |
2 |
|
C |
108 |
37 |
16245 |
x |
C |
-y,x-y,z-1/3 |
2_554 |
114 |
35 |
16245 |
984.9 |
-4.8 |
0.549 |
11 |
3 |
0 |
0.000 |
3 |
|
B |
111 |
31 |
16124 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
111 |
38 |
16124 |
946.6 |
-5.9 |
0.521 |
9 |
1 |
0 |
0.000 |
Average: |
986.7 |
-4.8 |
0.569 |
11 |
2 |
0 |
0.000 |
2 |
4 |
|
B |
59 |
20 |
16124 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
53 |
19 |
16286 |
533.7 |
-1.5 |
0.640 |
8 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
41 |
16 |
16245 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
31 |
13 |
16124 |
347.6 |
-4.2 |
0.233 |
2 |
0 |
0 |
0.055 |
4 |
6 |
|
C |
30 |
14 |
16245 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
16286 |
315.7 |
0.0 |
0.610 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
30 |
12 |
16245 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
25 |
6 |
16286 |
258.8 |
-5.6 |
0.088 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[MES]C:1011 |
12 |
1 |
350 |
f |
C |
x,y,z |
1_555 |
34 |
10 |
16245 |
195.5 |
5.2 |
0.264 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[MES]A:1032 |
12 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
16286 |
195.0 |
6.0 |
0.389 |
0 |
0 |
0 |
0.000 |
10 |
|
[MES]C:1012 |
12 |
1 |
341 |
f |
C |
x,y,z |
1_555 |
30 |
9 |
16245 |
187.9 |
6.6 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
191.4 |
6.3 |
0.408 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[MES]A:1031 |
12 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
16286 |
180.5 |
5.2 |
0.299 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[MES]B:1022 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
16124 |
179.0 |
6.1 |
0.449 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[MES]B:1021 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
16124 |
169.1 |
4.8 |
0.261 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
17 |
5 |
16245 |
◊ |
B |
-y,x-y,z+2/3 |
2_555 |
11 |
4 |
16124 |
109.4 |
-0.3 |
0.573 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
14 |
4 |
16124 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
10 |
3 |
16245 |
105.7 |
1.4 |
0.847 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]C:1006 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
16245 |
95.4 |
-13.4 |
0.817 |
5 |
0 |
0 |
0.171 |
14 |
17 |
|
[SO4]B:1001 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16124 |
92.2 |
-12.8 |
0.773 |
3 |
0 |
0 |
0.155 |
15 |
18 |
|
[SO4]A:1002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16286 |
90.4 |
-12.8 |
0.744 |
2 |
0 |
0 |
0.089 |
16 |
19 |
|
[SO4]B:1003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
16124 |
83.8 |
-12.4 |
0.644 |
2 |
0 |
0 |
0.145 |
17 |
20 |
|
[SO4]C:1008 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
16245 |
82.8 |
-10.9 |
0.862 |
5 |
0 |
0 |
0.143 |
18 |
21 |
|
A |
10 |
4 |
16286 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
16124 |
76.8 |
1.8 |
0.788 |
1 |
2 |
0 |
0.000 |
19 |
22 |
|
[SO4]A:1005 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16286 |
75.9 |
-11.4 |
0.650 |
4 |
0 |
0 |
0.086 |
20 |
23 |
|
[SO4]C:1004 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16245 |
75.7 |
-11.2 |
0.642 |
3 |
0 |
0 |
0.137 |
21 |
24 |
|
[SO4]B:1009 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16124 |
69.1 |
-9.8 |
0.622 |
1 |
0 |
0 |
0.112 |
22 |
25 |
|
[SO4]B:1007 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16124 |
62.5 |
-8.1 |
0.825 |
1 |
0 |
0 |
0.094 |
23 |
26 |
|
C |
8 |
3 |
16245 |
◊ |
[SO4]B:1009 |
-y,x-y,z-1/3 |
2_554 |
4 |
1 |
186 |
58.1 |
-7.3 |
0.677 |
2 |
0 |
0 |
0.090 |
24 |
27 |
|
[SO4]B:1010 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
16124 |
51.9 |
-6.5 |
0.693 |
1 |
0 |
0 |
0.076 |
25 |
28 |
|
C |
6 |
3 |
16245 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
16124 |
51.5 |
-0.5 |
0.358 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[SO4]B:1007 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
16245 |
44.2 |
-4.8 |
0.851 |
2 |
0 |
0 |
0.000 |
27 |
30 |
|
C |
2 |
1 |
16245 |
◊ |
[SO4]C:1006 |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
185 |
37.4 |
-4.2 |
0.942 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
A |
2 |
1 |
16286 |
◊ |
[SO4]A:1005 |
-y+1,x-y+1,z-1/3 |
2_664 |
4 |
1 |
186 |
35.2 |
-3.3 |
0.942 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[SO4]A:1002 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
16245 |
34.5 |
-4.4 |
0.513 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[MES]B:1022 |
4 |
1 |
334 |
f |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
5 |
2 |
16286 |
33.0 |
0.8 |
0.164 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[SO4]B:1003 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16245 |
21.0 |
-2.9 |
0.298 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[SO4]B:1001 |
1 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
2 |
1 |
16286 |
7.6 |
-0.8 |
0.768 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[SO4]B:1010 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16245 |
7.1 |
-0.7 |
0.896 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[MES]A:1031 |
2 |
1 |
336 |
f |
[SO4]A:1002 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.8 |
-0.5 |
0.247 |
0 |
0 |
0 |
0.003 |
35 |
38 |
|
[MES]B:1021 |
2 |
1 |
332 |
f |
[SO4]B:1001 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.0 |
-0.3 |
0.236 |
0 |
0 |
0 |
0.003 |
|