## |
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 |
|
D |
63 |
16 |
9659 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
71 |
20 |
9545 |
597.8 |
-0.6 |
0.556 |
1 |
0 |
0 |
0.000 |
2 |
|
D |
69 |
20 |
9659 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
61 |
16 |
9545 |
572.3 |
0.9 |
0.661 |
4 |
0 |
0 |
0.000 |
3 |
|
C |
58 |
16 |
9449 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
59 |
16 |
9567 |
520.6 |
2.7 |
0.722 |
2 |
0 |
0 |
0.000 |
Average: |
563.6 |
1.0 |
0.646 |
2 |
0 |
0 |
0.000 |
2 |
4 |
|
A |
67 |
21 |
9567 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
67 |
18 |
9449 |
557.6 |
1.2 |
0.633 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
F |
40 |
6 |
898 |
◊ |
B |
x,y,z |
1_555 |
83 |
30 |
9545 |
542.9 |
-7.6 |
0.310 |
6 |
2 |
0 |
0.510 |
6 |
|
G |
39 |
6 |
891 |
◊ |
D |
x,y,z |
1_555 |
86 |
30 |
9659 |
534.7 |
-7.3 |
0.329 |
6 |
2 |
0 |
0.510 |
7 |
|
E |
39 |
6 |
895 |
◊ |
A |
x,y,z |
1_555 |
84 |
30 |
9567 |
533.2 |
-7.1 |
0.311 |
5 |
2 |
0 |
0.510 |
8 |
|
I |
39 |
6 |
887 |
◊ |
C |
x,y,z |
1_555 |
79 |
30 |
9449 |
524.1 |
-7.5 |
0.287 |
5 |
1 |
0 |
0.510 |
Average: |
533.7 |
-7.4 |
0.309 |
6 |
2 |
0 |
0.510 |
4 |
9 |
|
A |
39 |
11 |
9567 |
◊ |
C |
x,y-1,z |
1_545 |
45 |
15 |
9449 |
362.2 |
-3.3 |
0.245 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
30 |
9 |
9659 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
9567 |
293.6 |
-0.6 |
0.462 |
4 |
3 |
0 |
0.000 |
6 |
11 |
|
C |
34 |
10 |
9449 |
x |
C |
x-1,y,z |
1_455 |
33 |
12 |
9449 |
291.3 |
1.2 |
0.674 |
0 |
0 |
0 |
0.000 |
12 |
|
D |
31 |
13 |
9659 |
x |
D |
x-1,y,z |
1_455 |
32 |
11 |
9659 |
285.0 |
1.4 |
0.706 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
28 |
9 |
9567 |
x |
A |
x-1,y,z |
1_455 |
27 |
11 |
9567 |
263.0 |
1.3 |
0.679 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
33 |
10 |
9545 |
x |
B |
x-1,y,z |
1_455 |
34 |
11 |
9545 |
261.1 |
0.7 |
0.621 |
0 |
0 |
0 |
0.000 |
Average: |
275.1 |
1.1 |
0.670 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
33 |
11 |
9449 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
9567 |
256.7 |
-3.0 |
0.234 |
2 |
0 |
0 |
0.000 |
8 |
16 |
|
B |
24 |
9 |
9545 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
9567 |
242.5 |
-1.6 |
0.380 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
23 |
5 |
9449 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
9545 |
234.1 |
-0.6 |
0.482 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
21 |
10 |
9659 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
13 |
9545 |
216.1 |
0.8 |
0.679 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[LPD]I:7 |
8 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
9449 |
157.5 |
-2.4 |
0.372 |
0 |
0 |
0 |
0.112 |
20 |
|
[LPD]F:7 |
8 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
9545 |
145.8 |
-2.3 |
0.391 |
0 |
0 |
0 |
0.112 |
21 |
|
[LPD]G:7 |
8 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
28 |
8 |
9659 |
136.7 |
-2.1 |
0.380 |
0 |
0 |
0 |
0.112 |
22 |
|
[LPD]E:7 |
8 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
9567 |
132.9 |
-2.3 |
0.376 |
0 |
0 |
0 |
0.112 |
Average: |
143.2 |
-2.3 |
0.380 |
0 |
0 |
0 |
0.112 |
12 |
23 |
|
D |
24 |
9 |
9659 |
◊ |
C |
x,y-1,z |
1_545 |
18 |
7 |
9449 |
133.8 |
2.0 |
0.797 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
C |
15 |
5 |
9449 |
◊ |
D |
x-1,y+1,z |
1_465 |
16 |
6 |
9659 |
121.7 |
0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
D |
12 |
3 |
9659 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9545 |
107.7 |
-2.7 |
0.097 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[LPD]I:7 |
7 |
1 |
264 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
887 |
63.7 |
-0.7 |
0.603 |
1 |
0 |
0 |
0.084 |
27 |
|
[LPD]G:7 |
7 |
1 |
263 |
cf |
G |
x,y,z |
1_555 |
5 |
2 |
891 |
59.4 |
-0.6 |
0.608 |
1 |
0 |
0 |
0.084 |
28 |
|
[LPD]E:7 |
7 |
1 |
264 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
895 |
59.3 |
-0.6 |
0.603 |
1 |
0 |
0 |
0.084 |
Average: |
60.8 |
-0.6 |
0.605 |
1 |
0 |
0 |
0.084 |
16 |
29 |
|
[LPD]F:7 |
7 |
1 |
263 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
898 |
62.9 |
-0.6 |
0.603 |
1 |
0 |
0 |
0.083 |
17 |
30 |
|
[ACE]I:0 |
3 |
1 |
172 |
cf |
I |
x,y,z |
1_555 |
6 |
2 |
887 |
62.1 |
-0.2 |
0.843 |
0 |
0 |
0 |
0.016 |
18 |
31 |
|
[ACE]F:0 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
898 |
61.6 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.018 |
32 |
|
[ACE]G:0 |
3 |
1 |
172 |
cf |
G |
x,y,z |
1_555 |
5 |
2 |
891 |
61.4 |
-0.2 |
0.839 |
0 |
0 |
0 |
0.018 |
33 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
895 |
61.4 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.018 |
Average: |
61.5 |
-0.2 |
0.832 |
0 |
0 |
0 |
0.018 |
19 |
34 |
|
[NI]D:302 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
9659 |
58.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.177 |
20 |
35 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9449 |
56.4 |
-0.6 |
0.641 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[LPD]E:7 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
9545 |
55.2 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[PO4]B:301 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9545 |
55.1 |
-3.3 |
0.625 |
0 |
0 |
0 |
0.158 |
23 |
38 |
|
A |
5 |
2 |
9567 |
◊ |
[ACE]I:0 |
x,y-1,z |
1_545 |
3 |
1 |
172 |
49.0 |
-0.8 |
0.466 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[ACE]G:0 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9659 |
43.9 |
-0.4 |
0.696 |
0 |
0 |
0 |
0.015 |
40 |
|
[ACE]F:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9545 |
41.6 |
-0.3 |
0.733 |
0 |
0 |
0 |
0.015 |
41 |
|
[ACE]E:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9567 |
41.2 |
-0.1 |
0.812 |
0 |
0 |
0 |
0.015 |
Average: |
42.2 |
-0.3 |
0.747 |
0 |
0 |
0 |
0.015 |
25 |
42 |
|
[ACE]G:0 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9545 |
43.3 |
-0.9 |
0.445 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[LPD]G:7 |
4 |
1 |
263 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
4 |
9449 |
40.9 |
0.3 |
0.678 |
1 |
0 |
0 |
0.000 |
27 |
44 |
|
[ACE]I:0 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
9449 |
40.8 |
-0.3 |
0.765 |
0 |
0 |
0 |
0.006 |
28 |
45 |
|
A |
6 |
2 |
9567 |
◊ |
I |
x,y-1,z |
1_545 |
3 |
2 |
887 |
40.6 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
9659 |
37.4 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.457 |
47 |
|
[ZN]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9567 |
37.1 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.457 |
48 |
|
[ZN]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9449 |
36.4 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.457 |
Average: |
37.0 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.457 |
30 |
49 |
|
E |
4 |
2 |
895 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9449 |
35.0 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
[ZN]A:300 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
895 |
33.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.290 |
51 |
|
[ZN]C:300 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
887 |
32.7 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.290 |
52 |
|
[ZN]D:301 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
891 |
32.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.290 |
Average: |
32.7 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.290 |
32 |
53 |
|
[ACE]F:0 |
2 |
1 |
172 |
◊ |
[PO4]B:301 |
x,y,z |
1_555 |
1 |
1 |
188 |
24.3 |
-1.8 |
0.843 |
0 |
0 |
0 |
0.084 |
33 |
54 |
|
[PO4]B:301 |
3 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
898 |
24.1 |
-1.2 |
0.825 |
0 |
0 |
0 |
0.057 |
34 |
55 |
|
[LPD]F:7 |
4 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9567 |
19.0 |
0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
G |
2 |
2 |
891 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9545 |
13.5 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
F |
1 |
1 |
898 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9659 |
6.5 |
-0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
37 |
58 |
|
C |
2 |
1 |
9449 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
9449 |
3.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|