## |
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 |
|
L |
198 |
59 |
11535 |
◊ |
H |
x,y,z |
1_555 |
188 |
52 |
11538 |
1833.0 |
-25.1 |
0.047 |
16 |
1 |
0 |
0.287 |
2 |
|
B |
200 |
57 |
11387 |
◊ |
A |
x,y,z |
1_555 |
188 |
53 |
11512 |
1812.6 |
-26.4 |
0.024 |
16 |
1 |
0 |
0.287 |
Average: |
1822.8 |
-25.7 |
0.036 |
16 |
1 |
0 |
0.287 |
2 |
3 |
|
A |
87 |
27 |
11512 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
82 |
26 |
11538 |
717.0 |
2.6 |
0.929 |
14 |
0 |
0 |
0.000 |
3 |
4 |
|
H |
62 |
23 |
11538 |
◊ |
A |
x,y,z |
1_555 |
69 |
23 |
11512 |
584.5 |
-1.5 |
0.749 |
6 |
4 |
0 |
0.000 |
4 |
5 |
|
L |
45 |
11 |
11535 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
54 |
14 |
11387 |
430.8 |
1.3 |
0.771 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
P |
40 |
9 |
1584 |
◊ |
H |
x,y,z |
1_555 |
55 |
14 |
11538 |
417.8 |
-2.4 |
0.597 |
5 |
3 |
0 |
0.040 |
7 |
|
C |
36 |
9 |
1430 |
◊ |
A |
x,y,z |
1_555 |
55 |
13 |
11512 |
416.4 |
-2.8 |
0.546 |
5 |
3 |
0 |
0.040 |
Average: |
417.1 |
-2.6 |
0.572 |
5 |
3 |
0 |
0.040 |
6 |
8 |
|
L |
32 |
13 |
11535 |
◊ |
A |
-x-3/2,-y,z-1/2 |
2_354 |
24 |
9 |
11512 |
283.1 |
0.3 |
0.712 |
6 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
35 |
7 |
1430 |
◊ |
P |
x-1,y,z |
1_455 |
31 |
6 |
1584 |
265.4 |
-5.0 |
0.355 |
6 |
0 |
0 |
1.000 |
8 |
10 |
|
B |
27 |
7 |
11387 |
◊ |
L |
x-1,y,z |
1_455 |
28 |
7 |
11535 |
248.5 |
-0.6 |
0.559 |
4 |
0 |
0 |
0.009 |
9 |
11 |
|
B |
30 |
11 |
11387 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
25 |
10 |
11535 |
217.0 |
0.4 |
0.705 |
2 |
7 |
0 |
0.006 |
10 |
12 |
|
P |
23 |
5 |
1584 |
◊ |
L |
x,y,z |
1_555 |
33 |
8 |
11535 |
189.2 |
-2.0 |
0.484 |
4 |
0 |
0 |
0.028 |
13 |
|
C |
22 |
5 |
1430 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
11387 |
184.1 |
-1.7 |
0.522 |
4 |
0 |
0 |
0.028 |
Average: |
186.7 |
-1.8 |
0.503 |
4 |
0 |
0 |
0.028 |
11 |
14 |
|
P |
14 |
3 |
1584 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11512 |
127.2 |
0.2 |
0.707 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
H |
14 |
5 |
11538 |
◊ |
B |
-x-3/2,-y,z-1/2 |
2_354 |
14 |
3 |
11387 |
108.7 |
1.1 |
0.815 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]B:215 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11387 |
95.3 |
-11.7 |
0.922 |
4 |
0 |
0 |
0.111 |
14 |
17 |
|
[SO4]L:216 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
11535 |
91.9 |
-10.4 |
0.930 |
4 |
0 |
0 |
0.109 |
15 |
18 |
|
C |
9 |
2 |
1430 |
◊ |
L |
x-1,y,z |
1_455 |
16 |
5 |
11535 |
90.7 |
-1.7 |
0.282 |
0 |
0 |
0 |
0.015 |
19 |
|
B |
17 |
4 |
11387 |
◊ |
P |
x-1,y,z |
1_455 |
8 |
2 |
1584 |
86.2 |
-2.3 |
0.226 |
0 |
0 |
0 |
0.015 |
Average: |
88.4 |
-2.0 |
0.254 |
0 |
0 |
0 |
0.015 |
16 |
20 |
|
[SO4]L:219 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11535 |
90.7 |
-12.8 |
0.870 |
4 |
0 |
0 |
0.129 |
17 |
21 |
|
[SO4]B:216 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11387 |
81.6 |
-12.2 |
0.824 |
3 |
0 |
0 |
0.111 |
18 |
22 |
|
[SO4]A:215 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11512 |
80.0 |
-10.3 |
0.919 |
3 |
0 |
0 |
0.096 |
19 |
23 |
|
[SO4]H:216 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11538 |
78.3 |
-11.1 |
0.826 |
4 |
0 |
0 |
0.114 |
20 |
24 |
|
[SO4]B:217 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11387 |
75.9 |
-11.0 |
0.820 |
3 |
0 |
0 |
0.102 |
21 |
25 |
|
[SO4]A:216 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11512 |
73.9 |
-10.4 |
0.889 |
4 |
0 |
0 |
0.101 |
22 |
26 |
|
L |
6 |
3 |
11535 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11512 |
68.1 |
-1.1 |
0.323 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
11 |
4 |
11512 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
4 |
11538 |
65.9 |
1.8 |
0.913 |
1 |
1 |
0 |
0.000 |
24 |
28 |
|
[SO4]H:215 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
11538 |
62.1 |
-8.4 |
0.767 |
2 |
0 |
0 |
0.083 |
25 |
29 |
|
A |
7 |
3 |
11512 |
f |
[SO4]H:214 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
62.0 |
-8.4 |
0.747 |
2 |
0 |
0 |
0.077 |
26 |
30 |
|
[SO4]L:215 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
7 |
4 |
11535 |
60.4 |
-8.0 |
0.777 |
1 |
0 |
0 |
0.075 |
27 |
31 |
|
[SO4]L:217 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
11535 |
59.4 |
-7.9 |
0.753 |
1 |
0 |
0 |
0.074 |
28 |
32 |
|
[SO4]L:218 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
3 |
11535 |
58.1 |
-7.1 |
0.814 |
1 |
0 |
0 |
0.067 |
29 |
33 |
|
[SO4]A:214 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11512 |
52.5 |
-7.0 |
0.683 |
1 |
0 |
0 |
0.061 |
30 |
34 |
|
[SO4]L:218 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
11538 |
50.5 |
-6.6 |
0.737 |
1 |
0 |
0 |
0.062 |
31 |
35 |
|
[SO4]A:214 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11387 |
49.7 |
-6.5 |
0.737 |
0 |
0 |
0 |
0.053 |
32 |
36 |
|
A |
8 |
3 |
11512 |
◊ |
P |
x-1,y,z |
1_455 |
5 |
2 |
1584 |
48.0 |
1.0 |
0.835 |
1 |
2 |
0 |
0.000 |
37 |
|
C |
3 |
1 |
1430 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
2 |
11538 |
37.4 |
1.4 |
0.908 |
1 |
1 |
0 |
0.000 |
Average: |
42.7 |
1.2 |
0.871 |
1 |
2 |
0 |
0.000 |
33 |
38 |
|
B |
8 |
3 |
11387 |
◊ |
[SO4]L:215 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
46.3 |
-5.2 |
0.783 |
1 |
0 |
0 |
0.021 |
34 |
39 |
|
[NH2]P:437 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
4 |
1 |
1584 |
40.8 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
40 |
|
[NH2]C:437 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
1430 |
40.6 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
Average: |
40.7 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[SO4]H:214 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11538 |
38.8 |
-4.2 |
0.929 |
1 |
0 |
0 |
0.017 |
36 |
42 |
|
[NH2]C:437 |
1 |
1 |
117 |
◊ |
P |
x-1,y,z |
1_455 |
9 |
4 |
1584 |
37.3 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
10 |
4 |
1430 |
◊ |
[NH2]P:437 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
36.4 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
36.8 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
A |
2 |
1 |
11512 |
◊ |
[SO4]H:215 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
36.2 |
-3.7 |
0.914 |
1 |
0 |
0 |
0.015 |
38 |
45 |
|
[SO4]L:217 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
11387 |
36.0 |
-3.8 |
0.925 |
2 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]B:216 |
4 |
1 |
185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11535 |
35.2 |
-3.6 |
0.967 |
1 |
0 |
0 |
0.015 |
40 |
47 |
|
[SO4]L:219 |
3 |
1 |
185 |
◊ |
A |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
1 |
11512 |
31.8 |
-4.2 |
0.453 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[NH2]C:437 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11387 |
26.9 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH2]P:437 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
11535 |
26.1 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
26.5 |
0.3 |
0.799 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
B |
2 |
2 |
11387 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
3 |
11387 |
23.1 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[SO4]A:215 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11387 |
12.4 |
-1.2 |
0.918 |
0 |
0 |
0 |
0.010 |
44 |
52 |
|
C |
1 |
1 |
1430 |
◊ |
[SO4]H:214 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
8.5 |
-1.2 |
0.576 |
0 |
0 |
0 |
0.004 |
45 |
53 |
|
[SO4]H:215 |
1 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
1584 |
3.0 |
-0.4 |
0.760 |
0 |
0 |
0 |
0.002 |
46 |
54 |
|
[SO4]L:217 |
1 |
1 |
185 |
◊ |
[SO4]A:214 |
x,y,z |
1_555 |
3 |
1 |
184 |
1.1 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|