## |
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 |
290 |
69 |
16494 |
◊ |
A |
x,y,z |
1_555 |
292 |
68 |
16468 |
2819.4 |
-49.2 |
0.002 |
22 |
8 |
0 |
0.497 |
2 |
|
D |
294 |
69 |
16641 |
◊ |
C |
x,y,z |
1_555 |
294 |
68 |
16523 |
2817.1 |
-49.4 |
0.003 |
22 |
8 |
0 |
0.497 |
Average: |
2818.2 |
-49.3 |
0.003 |
22 |
8 |
0 |
0.497 |
2 |
3 |
|
D |
169 |
43 |
16641 |
◊ |
A |
x,y,z |
1_555 |
158 |
39 |
16468 |
1586.9 |
-6.6 |
0.656 |
26 |
3 |
0 |
0.230 |
4 |
|
C |
157 |
40 |
16523 |
◊ |
B |
x,y,z |
1_555 |
158 |
41 |
16494 |
1571.3 |
-7.5 |
0.612 |
21 |
3 |
0 |
0.230 |
Average: |
1579.1 |
-7.0 |
0.634 |
24 |
3 |
0 |
0.230 |
3 |
5 |
|
C |
92 |
28 |
16523 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
16468 |
887.4 |
-11.1 |
0.182 |
8 |
0 |
0 |
0.171 |
6 |
|
D |
94 |
27 |
16641 |
◊ |
B |
x,y,z |
1_555 |
93 |
27 |
16494 |
868.6 |
-12.8 |
0.118 |
8 |
0 |
0 |
0.171 |
Average: |
878.0 |
-12.0 |
0.150 |
8 |
0 |
0 |
0.171 |
4 |
7 |
|
[TXD]D:801 |
43 |
1 |
881 |
f |
D |
x,y,z |
1_555 |
91 |
35 |
16641 |
640.2 |
-4.3 |
0.440 |
13 |
0 |
0 |
0.242 |
8 |
|
[TXD]A:402 |
43 |
1 |
884 |
f |
A |
x,y,z |
1_555 |
91 |
35 |
16468 |
629.8 |
-4.2 |
0.433 |
12 |
0 |
0 |
0.242 |
9 |
|
[TXD]B:402 |
42 |
1 |
882 |
f |
B |
x,y,z |
1_555 |
86 |
34 |
16494 |
600.2 |
-2.2 |
0.557 |
13 |
0 |
0 |
0.242 |
Average: |
623.4 |
-3.6 |
0.477 |
13 |
0 |
0 |
0.242 |
5 |
10 |
|
[NAI]C:402 |
44 |
1 |
865 |
f |
C |
x,y,z |
1_555 |
91 |
34 |
16523 |
625.7 |
-7.1 |
0.511 |
10 |
0 |
0 |
0.143 |
6 |
11 |
|
[6EY]A:403 |
26 |
1 |
561 |
f |
A |
x,y,z |
1_555 |
56 |
18 |
16468 |
384.6 |
-5.8 |
0.393 |
4 |
0 |
0 |
0.212 |
12 |
|
[6EY]D:802 |
26 |
1 |
558 |
f |
D |
x,y,z |
1_555 |
59 |
20 |
16641 |
382.4 |
-5.8 |
0.437 |
5 |
0 |
0 |
0.212 |
13 |
|
[6EY]C:403 |
26 |
1 |
564 |
f |
C |
x,y,z |
1_555 |
52 |
18 |
16523 |
371.9 |
-6.4 |
0.366 |
5 |
0 |
0 |
0.212 |
14 |
|
[6EY]B:403 |
26 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
49 |
18 |
16494 |
361.3 |
-5.4 |
0.396 |
7 |
0 |
0 |
0.212 |
Average: |
375.1 |
-5.9 |
0.398 |
5 |
0 |
0 |
0.212 |
7 |
15 |
|
B |
43 |
15 |
16494 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
51 |
15 |
16468 |
363.2 |
1.8 |
0.845 |
1 |
3 |
0 |
0.000 |
8 |
16 |
|
B |
39 |
14 |
16494 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
14 |
16468 |
361.9 |
-0.7 |
0.670 |
3 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
41 |
11 |
16523 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
33 |
10 |
16523 |
295.8 |
-1.4 |
0.602 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
B |
30 |
9 |
16494 |
◊ |
A |
x,y-1,z |
1_545 |
36 |
11 |
16468 |
284.1 |
2.0 |
0.849 |
3 |
4 |
0 |
0.000 |
11 |
19 |
|
B |
23 |
10 |
16494 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
32 |
7 |
16641 |
268.6 |
-2.4 |
0.446 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
D |
32 |
11 |
16641 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
16494 |
258.8 |
-1.0 |
0.583 |
3 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
21 |
9 |
16641 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
14 |
16468 |
236.7 |
1.2 |
0.757 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
C |
19 |
9 |
16523 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
4 |
16468 |
190.1 |
2.6 |
0.894 |
5 |
2 |
0 |
0.000 |
15 |
23 |
|
D |
21 |
10 |
16641 |
x |
D |
-x,y-1/2,-z |
2_545 |
20 |
9 |
16641 |
181.2 |
-0.2 |
0.674 |
2 |
2 |
0 |
0.000 |
16 |
24 |
|
B |
17 |
6 |
16494 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
16523 |
159.7 |
0.8 |
0.773 |
3 |
2 |
0 |
0.000 |
17 |
25 |
|
[EPE]A:401 |
12 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16468 |
140.4 |
1.5 |
0.059 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[EPE]B:401 |
12 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
16494 |
134.8 |
1.5 |
0.056 |
2 |
0 |
0 |
0.000 |
19 |
27 |
|
[EPE]C:401 |
12 |
1 |
398 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
16523 |
132.9 |
1.7 |
0.074 |
2 |
0 |
0 |
0.000 |
20 |
28 |
|
[6EY]B:403 |
14 |
1 |
563 |
f |
[TXD]B:402 |
x,y,z |
1_555 |
13 |
1 |
882 |
103.3 |
0.1 |
0.513 |
1 |
0 |
0 |
0.016 |
29 |
|
[6EY]A:403 |
16 |
1 |
561 |
f |
[TXD]A:402 |
x,y,z |
1_555 |
12 |
1 |
884 |
96.8 |
-0.2 |
0.509 |
1 |
0 |
0 |
0.016 |
30 |
|
[6EY]D:802 |
15 |
1 |
558 |
f |
[TXD]D:801 |
x,y,z |
1_555 |
13 |
1 |
881 |
96.5 |
-0.2 |
0.511 |
1 |
0 |
0 |
0.016 |
Average: |
98.9 |
-0.1 |
0.511 |
1 |
0 |
0 |
0.016 |
21 |
31 |
|
[NAI]C:402 |
12 |
1 |
865 |
f |
[6EY]C:403 |
x,y,z |
1_555 |
14 |
1 |
564 |
96.6 |
-1.0 |
0.558 |
1 |
0 |
0 |
0.018 |
22 |
32 |
|
[SO4]D:803 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
16641 |
92.2 |
-12.0 |
0.859 |
2 |
0 |
0 |
0.159 |
23 |
33 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
16468 |
90.2 |
-11.6 |
0.865 |
3 |
0 |
0 |
0.160 |
24 |
34 |
|
[SO4]C:404 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
16523 |
89.8 |
-11.5 |
0.870 |
3 |
0 |
0 |
0.159 |
25 |
35 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16494 |
87.2 |
-11.6 |
0.866 |
3 |
0 |
0 |
0.160 |
26 |
36 |
|
B |
8 |
4 |
16494 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
16494 |
81.0 |
0.5 |
0.743 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
D |
11 |
3 |
16641 |
◊ |
[TXD]B:402 |
x-1,y,z |
1_455 |
6 |
1 |
882 |
51.6 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16523 |
48.9 |
-7.2 |
0.617 |
1 |
0 |
0 |
0.077 |
29 |
39 |
|
[SO4]C:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16468 |
48.8 |
-7.1 |
0.575 |
1 |
0 |
0 |
0.076 |
30 |
40 |
|
[SO4]B:404 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16641 |
48.5 |
-7.1 |
0.636 |
1 |
0 |
0 |
0.078 |
31 |
41 |
|
[SO4]D:803 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
16494 |
46.1 |
-6.7 |
0.622 |
1 |
0 |
0 |
0.075 |
32 |
42 |
|
[EPE]B:401 |
7 |
1 |
403 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
16468 |
43.6 |
0.8 |
0.084 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
A |
3 |
1 |
16468 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16641 |
35.7 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[NAI]C:402 |
3 |
1 |
865 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
16523 |
21.6 |
0.8 |
0.836 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
B |
1 |
1 |
16494 |
◊ |
[TXD]A:402 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
884 |
19.9 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
D |
4 |
2 |
16641 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
16468 |
18.3 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[SO4]D:803 |
1 |
1 |
186 |
◊ |
[SO4]B:404 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.9 |
-3.8 |
0.800 |
0 |
0 |
0 |
0.040 |
38 |
48 |
|
[SO4]C:404 |
1 |
1 |
185 |
◊ |
[SO4]A:404 |
x,y,z |
1_555 |
1 |
1 |
186 |
15.1 |
-3.6 |
0.800 |
0 |
0 |
0 |
0.037 |
39 |
49 |
|
D |
4 |
2 |
16641 |
f |
[EPE]A:401 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
399 |
13.8 |
0.1 |
0.224 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
C |
3 |
2 |
16523 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
2 |
16468 |
12.8 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[SO4]C:404 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16641 |
4.4 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.005 |
42 |
52 |
|
[SO4]B:404 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16468 |
4.4 |
-0.6 |
0.708 |
0 |
0 |
0 |
0.005 |
43 |
53 |
|
[SO4]A:404 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16494 |
3.8 |
-0.5 |
0.718 |
0 |
0 |
0 |
0.004 |
44 |
54 |
|
[SO4]D:803 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16523 |
2.6 |
-0.3 |
0.746 |
0 |
0 |
0 |
0.003 |
45 |
55 |
|
[EPE]C:401 |
1 |
1 |
398 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16468 |
0.1 |
-0.0 |
0.360 |
0 |
0 |
0 |
0.000 |
|