## |
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 |
|
C |
192 |
51 |
11747 |
◊ |
F |
x,y-1,z |
1_545 |
182 |
48 |
11787 |
1627.5 |
-12.5 |
0.658 |
21 |
8 |
0 |
1.000 |
2 |
|
D |
169 |
48 |
11048 |
◊ |
D |
-x,y,-z+1 |
2_556 |
168 |
48 |
11048 |
1521.7 |
-12.6 |
0.589 |
19 |
8 |
0 |
1.000 |
3 |
|
B |
155 |
42 |
10729 |
◊ |
A |
x,y,z |
1_555 |
156 |
46 |
10647 |
1437.6 |
-10.7 |
0.619 |
16 |
4 |
0 |
1.000 |
4 |
|
E |
147 |
42 |
10749 |
◊ |
E |
-x,y,-z |
2_555 |
147 |
42 |
10749 |
1341.2 |
-13.6 |
0.758 |
15 |
6 |
0 |
1.000 |
Average: |
1482.0 |
-12.4 |
0.656 |
18 |
7 |
0 |
1.000 |
2 |
5 |
|
D |
50 |
16 |
11048 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
10647 |
507.1 |
-2.8 |
0.641 |
4 |
0 |
0 |
0.111 |
6 |
|
C |
48 |
17 |
11747 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
54 |
15 |
10729 |
487.8 |
-1.9 |
0.666 |
5 |
0 |
0 |
0.111 |
Average: |
497.4 |
-2.4 |
0.653 |
5 |
0 |
0 |
0.111 |
3 |
7 |
|
C |
57 |
19 |
11747 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
10729 |
419.0 |
-4.6 |
0.387 |
0 |
0 |
0 |
0.112 |
4 |
8 |
|
C |
40 |
14 |
11747 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
30 |
5 |
11787 |
347.5 |
-1.0 |
0.683 |
5 |
5 |
0 |
0.000 |
9 |
|
C |
32 |
6 |
11747 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
13 |
11048 |
343.0 |
-1.9 |
0.598 |
7 |
6 |
0 |
0.000 |
10 |
|
F |
10 |
6 |
11787 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
10749 |
56.0 |
-1.3 |
0.382 |
0 |
0 |
0 |
0.000 |
Average: |
248.8 |
-1.4 |
0.554 |
4 |
4 |
0 |
0.000 |
5 |
11 |
|
D |
25 |
8 |
11048 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
10729 |
226.9 |
-2.3 |
0.351 |
1 |
0 |
0 |
0.070 |
12 |
|
C |
19 |
6 |
11747 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
29 |
7 |
10647 |
204.0 |
-2.8 |
0.210 |
0 |
0 |
0 |
0.070 |
Average: |
215.4 |
-2.5 |
0.281 |
1 |
0 |
0 |
0.070 |
6 |
13 |
|
E |
25 |
13 |
10749 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
11048 |
192.0 |
-2.7 |
0.370 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
F |
16 |
6 |
11787 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
10729 |
173.1 |
1.4 |
0.852 |
3 |
1 |
0 |
0.000 |
8 |
15 |
|
E |
21 |
8 |
10749 |
◊ |
C |
-x,y,-z |
2_555 |
18 |
6 |
11747 |
144.1 |
-2.9 |
0.284 |
1 |
0 |
0 |
0.000 |
16 |
|
E |
13 |
5 |
10749 |
◊ |
F |
x,y-1,z |
1_545 |
15 |
6 |
11787 |
96.5 |
-1.2 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
120.3 |
-2.0 |
0.435 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
14 |
5 |
11747 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
5 |
10647 |
143.5 |
1.1 |
0.727 |
2 |
1 |
0 |
0.000 |
10 |
18 |
|
C |
12 |
2 |
11747 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
16 |
4 |
11747 |
125.1 |
-0.8 |
0.562 |
0 |
1 |
0 |
0.000 |
19 |
|
F |
16 |
3 |
11787 |
x |
D |
x,y,z |
1_555 |
17 |
4 |
11048 |
117.9 |
-1.7 |
0.484 |
0 |
0 |
0 |
0.000 |
Average: |
121.5 |
-1.2 |
0.523 |
0 |
1 |
0 |
0.000 |
11 |
20 |
|
E |
17 |
6 |
10749 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
7 |
11048 |
120.0 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]C:705 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
11747 |
119.6 |
4.1 |
0.725 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]F:703 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
23 |
10 |
11787 |
118.1 |
3.6 |
0.734 |
4 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]B:704 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
10729 |
114.4 |
3.9 |
0.743 |
3 |
0 |
0 |
0.000 |
15 |
24 |
|
A |
14 |
3 |
10647 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
11 |
3 |
11787 |
107.4 |
-1.6 |
0.389 |
0 |
0 |
0 |
0.037 |
25 |
|
D |
7 |
2 |
11048 |
◊ |
B |
-x,y,-z+1 |
2_556 |
11 |
3 |
10729 |
65.8 |
-1.3 |
0.339 |
0 |
0 |
0 |
0.037 |
Average: |
86.6 |
-1.5 |
0.364 |
0 |
0 |
0 |
0.037 |
16 |
26 |
|
[EDO]B:703 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
20 |
10 |
10729 |
100.6 |
3.0 |
0.503 |
4 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]C:704 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
11747 |
85.2 |
1.7 |
0.192 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[PO4]D:703 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11048 |
62.4 |
-4.3 |
0.595 |
2 |
0 |
0 |
0.311 |
19 |
29 |
|
[PO4]C:703 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11747 |
59.3 |
-3.7 |
0.684 |
4 |
0 |
0 |
0.355 |
20 |
30 |
|
F |
5 |
2 |
11787 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
10647 |
58.3 |
-0.9 |
0.324 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
1 |
1 |
11747 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
10729 |
7.7 |
0.4 |
0.863 |
0 |
0 |
0 |
0.000 |
Average: |
33.0 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[PO4]C:703 |
4 |
1 |
189 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
7 |
3 |
10729 |
50.7 |
-1.4 |
0.955 |
2 |
0 |
0 |
0.029 |
22 |
33 |
|
[PO4]D:703 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
10647 |
46.0 |
-1.3 |
0.948 |
2 |
0 |
0 |
0.028 |
23 |
34 |
|
F |
8 |
3 |
11787 |
◊ |
E |
-x,y,-z |
2_555 |
3 |
1 |
10749 |
44.6 |
-1.1 |
0.303 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[PO4]C:703 |
4 |
1 |
189 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
4 |
3 |
10647 |
44.1 |
-1.2 |
0.960 |
2 |
0 |
0 |
0.027 |
25 |
36 |
|
C |
6 |
2 |
11747 |
f |
[EDO]B:703 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
184 |
42.0 |
0.6 |
0.617 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
[PO4]D:703 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10729 |
37.0 |
-1.2 |
0.962 |
1 |
0 |
0 |
0.020 |
27 |
38 |
|
[EDO]C:704 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
10729 |
35.1 |
0.3 |
0.320 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
B |
4 |
1 |
10729 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
11048 |
32.2 |
-0.3 |
0.320 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
F |
5 |
4 |
11787 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
10647 |
31.7 |
-0.4 |
0.533 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
C |
7 |
3 |
11747 |
◊ |
[PO4]D:703 |
x,y-1,z |
1_545 |
3 |
1 |
187 |
28.2 |
-0.3 |
0.945 |
1 |
0 |
0 |
0.000 |
31 |
42 |
|
[PO4]C:703 |
3 |
1 |
189 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
5 |
4 |
11787 |
27.5 |
-0.3 |
0.967 |
1 |
0 |
0 |
0.000 |
32 |
43 |
|
F |
4 |
3 |
11787 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11747 |
24.5 |
-0.2 |
0.511 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
B |
5 |
4 |
10729 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
10647 |
17.1 |
-0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[EDO]C:704 |
3 |
1 |
185 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
11787 |
12.9 |
0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
B |
1 |
1 |
10729 |
◊ |
D |
-x,y-1,-z+1 |
2_546 |
1 |
1 |
11048 |
6.0 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11048 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.021 |
48 |
|
C |
1 |
1 |
11747 |
f |
[ZN]B:702 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
0.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
0.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.021 |
|