## |
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 |
61 |
16 |
5334 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
57 |
16 |
5208 |
589.6 |
-0.1 |
0.400 |
5 |
0 |
0 |
0.000 |
2 |
|
E |
47 |
13 |
4852 |
◊ |
D |
x,y,z |
1_555 |
51 |
16 |
5133 |
518.8 |
-0.1 |
0.419 |
10 |
1 |
0 |
0.000 |
Average: |
554.2 |
-0.1 |
0.410 |
8 |
1 |
0 |
0.000 |
2 |
3 |
|
E |
48 |
13 |
4852 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
5334 |
431.4 |
0.1 |
0.415 |
8 |
5 |
0 |
0.000 |
4 |
|
F |
49 |
12 |
4765 |
◊ |
D |
-x+2,y,-z+1 |
2_756 |
46 |
13 |
5133 |
417.0 |
-0.1 |
0.438 |
4 |
7 |
0 |
0.000 |
5 |
|
A |
44 |
11 |
5208 |
◊ |
C |
-x+3/2,y-1/2,-z |
4_645 |
44 |
12 |
4518 |
385.9 |
-2.0 |
0.288 |
4 |
2 |
0 |
0.000 |
Average: |
411.5 |
-0.7 |
0.380 |
5 |
5 |
0 |
0.000 |
3 |
6 |
|
D |
37 |
13 |
5133 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
27 |
8 |
4765 |
290.1 |
-0.5 |
0.384 |
1 |
0 |
0 |
0.000 |
7 |
|
C |
29 |
8 |
4518 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
5208 |
268.8 |
-1.4 |
0.239 |
3 |
0 |
0 |
0.000 |
Average: |
279.4 |
-0.9 |
0.312 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
B |
34 |
9 |
5334 |
◊ |
A |
-x+1,y,-z |
2_655 |
28 |
6 |
5208 |
278.0 |
3.0 |
0.710 |
2 |
0 |
0 |
0.000 |
9 |
|
D |
31 |
6 |
5133 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
30 |
9 |
4852 |
269.2 |
1.5 |
0.593 |
1 |
0 |
0 |
0.000 |
Average: |
273.6 |
2.3 |
0.651 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
E |
34 |
9 |
4852 |
◊ |
C |
x,y,z |
1_555 |
28 |
6 |
4518 |
268.6 |
-0.2 |
0.424 |
2 |
4 |
0 |
0.000 |
6 |
11 |
|
F |
27 |
9 |
4765 |
◊ |
C |
x,y,z |
1_555 |
25 |
9 |
4518 |
229.7 |
1.5 |
0.647 |
1 |
2 |
0 |
0.000 |
7 |
12 |
|
C |
23 |
7 |
4518 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
5334 |
196.9 |
-0.1 |
0.447 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
19 |
5 |
5334 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
5208 |
194.7 |
3.3 |
0.796 |
4 |
4 |
0 |
0.000 |
9 |
14 |
|
E |
22 |
7 |
4852 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
19 |
7 |
4765 |
193.6 |
-1.6 |
0.288 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
20 |
6 |
5334 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
21 |
8 |
4518 |
191.2 |
-1.3 |
0.308 |
1 |
1 |
0 |
0.000 |
Average: |
192.4 |
-1.5 |
0.298 |
1 |
1 |
0 |
0.000 |
10 |
16 |
|
F |
24 |
8 |
4765 |
◊ |
F |
-x+2,y,-z+1 |
2_756 |
25 |
8 |
4765 |
188.4 |
-0.5 |
0.432 |
0 |
0 |
0 |
0.015 |
11 |
17 |
|
D |
17 |
5 |
5133 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
16 |
5 |
5133 |
166.7 |
3.5 |
0.847 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[PG4]D:202 |
13 |
1 |
413 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
5133 |
125.7 |
4.8 |
0.320 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[MES]F:202 |
10 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
4765 |
114.2 |
3.0 |
0.080 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[MES]E:202 |
7 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
4852 |
113.3 |
2.3 |
0.150 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[MES]A:202 |
9 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
5208 |
110.5 |
3.8 |
0.163 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[PG4]D:202 |
12 |
1 |
413 |
f |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
14 |
5 |
4852 |
108.1 |
3.5 |
0.271 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
5334 |
100.5 |
-14.5 |
0.769 |
3 |
0 |
0 |
0.077 |
18 |
24 |
|
[MES]A:202 |
9 |
1 |
336 |
f |
B |
-x+1,y,-z |
2_655 |
14 |
5 |
5334 |
96.1 |
3.0 |
0.104 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
5133 |
88.3 |
-12.3 |
0.768 |
2 |
0 |
0 |
0.051 |
20 |
26 |
|
[MES]C:201 |
7 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
4518 |
87.1 |
3.4 |
0.207 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
5208 |
85.5 |
-11.8 |
0.761 |
3 |
0 |
0 |
0.054 |
22 |
28 |
|
D |
15 |
5 |
5133 |
f |
[SO4]E:201 |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
1 |
185 |
79.2 |
-11.6 |
0.681 |
3 |
0 |
0 |
0.049 |
23 |
29 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
A |
-x+1,y,-z |
2_655 |
14 |
5 |
5208 |
76.3 |
-11.2 |
0.645 |
0 |
0 |
0 |
0.046 |
24 |
30 |
|
[SO4]F:201 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
4765 |
73.9 |
-10.7 |
0.768 |
2 |
0 |
0 |
0.709 |
25 |
31 |
|
B |
12 |
3 |
5334 |
◊ |
[MES]C:201 |
x-1,y,z |
1_455 |
6 |
1 |
334 |
70.6 |
2.8 |
0.313 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[SO4]A:201 |
5 |
1 |
186 |
◊ |
B |
-x+1,y,-z |
2_655 |
8 |
3 |
5334 |
66.4 |
-7.5 |
0.904 |
0 |
0 |
0 |
0.014 |
27 |
33 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
5334 |
65.7 |
-7.4 |
0.746 |
1 |
0 |
0 |
0.038 |
28 |
34 |
|
[SO4]D:201 |
5 |
1 |
186 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
8 |
3 |
4852 |
62.6 |
-6.8 |
0.908 |
0 |
0 |
0 |
0.023 |
29 |
35 |
|
[SO4]E:201 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
4852 |
53.5 |
-5.5 |
0.875 |
1 |
0 |
0 |
0.020 |
30 |
36 |
|
B |
5 |
2 |
5334 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
4518 |
52.4 |
0.7 |
0.693 |
0 |
1 |
0 |
0.000 |
31 |
37 |
|
[SO4]B:201 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5334 |
50.6 |
-4.9 |
0.880 |
1 |
0 |
0 |
0.010 |
32 |
38 |
|
[SO4]B:203 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
5133 |
46.0 |
-6.2 |
0.691 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
4518 |
40.8 |
-5.7 |
0.587 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
D |
4 |
2 |
5133 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5334 |
36.0 |
1.2 |
0.824 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
3 |
1 |
4518 |
◊ |
B |
-x+1,y,-z |
2_655 |
3 |
2 |
5334 |
23.7 |
1.2 |
0.836 |
0 |
0 |
0 |
0.000 |
42 |
|
F |
3 |
1 |
4765 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
2 |
1 |
4852 |
9.5 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
43 |
|
E |
2 |
2 |
4852 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
5208 |
9.0 |
0.3 |
0.688 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
0.7 |
0.754 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[SO4]F:201 |
4 |
1 |
185 |
◊ |
F |
-x+2,y,-z+1 |
2_756 |
7 |
3 |
4765 |
36.0 |
-4.3 |
0.637 |
0 |
0 |
0 |
0.265 |
36 |
45 |
|
[MES]A:202 |
4 |
1 |
336 |
◊ |
[SO4]B:201 |
-x+1,y,-z |
2_655 |
4 |
1 |
185 |
35.6 |
-3.0 |
0.262 |
0 |
0 |
0 |
0.005 |
37 |
46 |
|
[PG4]D:202 |
2 |
1 |
413 |
◊ |
[SO4]E:201 |
-x+3/2,y-1/2,-z+1 |
4_646 |
4 |
1 |
185 |
27.6 |
-2.1 |
0.486 |
0 |
0 |
0 |
0.007 |
38 |
47 |
|
A |
3 |
3 |
5208 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
4518 |
24.8 |
0.5 |
0.653 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[SO4]F:201 |
2 |
1 |
185 |
◊ |
[SO4]F:201 |
-x+2,y,-z+1 |
2_756 |
3 |
1 |
185 |
20.2 |
-4.7 |
0.976 |
0 |
0 |
0 |
0.144 |
40 |
49 |
|
[MES]F:202 |
1 |
1 |
335 |
◊ |
F |
-x+2,y,-z+1 |
2_756 |
6 |
2 |
4765 |
17.5 |
0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[MES]F:202 |
2 |
1 |
335 |
f |
[SO4]F:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.6 |
-1.1 |
0.211 |
0 |
0 |
0 |
0.067 |
42 |
51 |
|
[MES]F:202 |
2 |
1 |
335 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
2 |
1 |
4852 |
7.7 |
0.1 |
0.178 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
D |
2 |
1 |
5133 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
4765 |
7.5 |
0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
D |
1 |
1 |
5133 |
◊ |
[SO4]F:201 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
185 |
7.0 |
-1.0 |
0.496 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[SO4]B:203 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4852 |
6.3 |
-0.6 |
0.798 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
E |
2 |
1 |
4852 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
4852 |
4.1 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
A |
1 |
1 |
5208 |
f |
[MES]C:201 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
334 |
0.2 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|