## |
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 |
535 |
133 |
19964 |
◊ |
C |
x,y,z |
1_555 |
530 |
132 |
19907 |
5070.1 |
-56.7 |
0.053 |
73 |
12 |
0 |
0.667 |
2 |
|
B |
520 |
128 |
19832 |
◊ |
A |
x,y,z |
1_555 |
524 |
129 |
19862 |
4985.8 |
-58.2 |
0.037 |
78 |
10 |
0 |
0.667 |
Average: |
5028.0 |
-57.5 |
0.045 |
76 |
11 |
0 |
0.667 |
2 |
3 |
|
D |
174 |
51 |
19964 |
◊ |
B |
x,y,z |
1_555 |
184 |
57 |
19832 |
1845.6 |
-20.3 |
0.125 |
14 |
5 |
0 |
0.352 |
4 |
|
C |
177 |
53 |
19907 |
◊ |
A |
x,y,z |
1_555 |
173 |
51 |
19862 |
1815.8 |
-21.4 |
0.105 |
13 |
5 |
0 |
0.352 |
Average: |
1830.7 |
-20.8 |
0.115 |
14 |
5 |
0 |
0.352 |
3 |
5 |
|
D |
102 |
35 |
19964 |
◊ |
A |
x,y,z |
1_555 |
97 |
32 |
19862 |
947.0 |
-4.9 |
0.638 |
12 |
6 |
0 |
0.152 |
6 |
|
C |
96 |
32 |
19907 |
◊ |
B |
x,y,z |
1_555 |
98 |
31 |
19832 |
940.4 |
-5.1 |
0.589 |
9 |
4 |
0 |
0.152 |
Average: |
943.7 |
-5.0 |
0.613 |
11 |
5 |
0 |
0.152 |
4 |
7 |
|
C |
29 |
12 |
19907 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
10 |
19862 |
323.9 |
2.5 |
0.873 |
4 |
2 |
0 |
0.000 |
5 |
8 |
|
D |
27 |
8 |
19964 |
◊ |
C |
-x+3/2,-y+2,z-1/2 |
2_674 |
28 |
7 |
19907 |
185.4 |
-3.5 |
0.304 |
0 |
0 |
0 |
0.021 |
6 |
9 |
|
C |
17 |
5 |
19907 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
7 |
19832 |
153.1 |
0.2 |
0.712 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
D |
14 |
8 |
19964 |
◊ |
B |
-x+3/2,-y+2,z-1/2 |
2_674 |
17 |
5 |
19832 |
129.5 |
0.6 |
0.763 |
3 |
4 |
0 |
0.000 |
8 |
11 |
|
[MLA]C:440 |
7 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
21 |
15 |
19907 |
125.7 |
-4.5 |
0.672 |
7 |
0 |
0 |
0.208 |
12 |
|
[MLA]D:440 |
7 |
1 |
225 |
f |
D |
x,y,z |
1_555 |
24 |
16 |
19964 |
124.8 |
-4.4 |
0.668 |
7 |
0 |
0 |
0.208 |
13 |
|
[MLA]B:440 |
7 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
24 |
16 |
19832 |
124.7 |
-4.5 |
0.665 |
7 |
0 |
0 |
0.208 |
14 |
|
[MLA]A:440 |
7 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
15 |
19862 |
122.7 |
-4.5 |
0.671 |
7 |
0 |
0 |
0.208 |
Average: |
124.5 |
-4.5 |
0.669 |
7 |
0 |
0 |
0.208 |
9 |
15 |
|
[EDO]C:470 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
19907 |
115.1 |
6.4 |
0.851 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]C:465 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
19907 |
110.6 |
3.4 |
0.512 |
5 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:465 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
19862 |
108.5 |
2.9 |
0.479 |
5 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:465 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
19832 |
106.4 |
3.4 |
0.527 |
4 |
0 |
0 |
0.000 |
Average: |
107.5 |
3.1 |
0.503 |
5 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]D:465 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
19964 |
108.4 |
3.1 |
0.488 |
5 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]C:475 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
19907 |
100.5 |
3.8 |
0.705 |
7 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:475 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
19832 |
100.1 |
3.8 |
0.709 |
7 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:475 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
19862 |
98.4 |
3.8 |
0.710 |
7 |
0 |
0 |
0.000 |
Average: |
99.7 |
3.8 |
0.708 |
7 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]D:475 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
19964 |
98.2 |
3.8 |
0.712 |
6 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]A:450 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
19862 |
83.5 |
2.4 |
0.597 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]C:450 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
19907 |
81.0 |
2.3 |
0.596 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]C:450 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
19964 |
79.1 |
2.2 |
0.298 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]A:450 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19832 |
75.6 |
2.0 |
0.826 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
B |
4 |
3 |
19832 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
4 |
19832 |
72.7 |
0.3 |
0.647 |
2 |
2 |
0 |
0.000 |
20 |
29 |
|
[NA]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
18 |
13 |
19964 |
70.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.281 |
30 |
|
[NA]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
13 |
19862 |
69.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.281 |
31 |
|
[NA]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
19832 |
69.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.281 |
32 |
|
[NA]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
12 |
19907 |
67.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.281 |
Average: |
69.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.281 |
21 |
33 |
|
D |
11 |
4 |
19964 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
3 |
19862 |
68.4 |
-0.5 |
0.560 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[NA]A:460 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
19964 |
57.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.204 |
35 |
|
[NA]D:460 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19862 |
56.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.204 |
36 |
|
[NA]B:460 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
19907 |
56.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.204 |
37 |
|
[NA]C:460 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19832 |
56.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
57.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.204 |
23 |
38 |
|
[NA]C:430 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
19907 |
53.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.092 |
24 |
39 |
|
[NA]C:460 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19907 |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
40 |
|
[NA]B:460 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19832 |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.133 |
41 |
|
[NA]D:460 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
19964 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
42 |
|
[NA]A:460 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19862 |
40.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
41.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.133 |
25 |
43 |
|
[EDO]B:465 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19862 |
38.3 |
1.4 |
0.620 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]C:465 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19964 |
30.0 |
1.1 |
0.612 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]D:465 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
19907 |
29.8 |
1.2 |
0.899 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
1.2 |
0.710 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[EDO]A:465 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19832 |
31.7 |
1.2 |
0.629 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
B |
5 |
3 |
19832 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
19862 |
30.6 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
D |
5 |
2 |
19964 |
◊ |
[NA]C:430 |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
125 |
24.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
49 |
|
[NA]B:501 |
1 |
1 |
125 |
f |
[MLA]B:440 |
x,y,z |
1_555 |
3 |
1 |
224 |
21.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.085 |
50 |
|
[NA]C:501 |
1 |
1 |
125 |
f |
[MLA]C:440 |
x,y,z |
1_555 |
3 |
1 |
224 |
21.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.085 |
51 |
|
[NA]A:501 |
1 |
1 |
125 |
f |
[MLA]A:440 |
x,y,z |
1_555 |
3 |
1 |
222 |
20.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
|
[NA]D:501 |
1 |
1 |
125 |
f |
[MLA]D:440 |
x,y,z |
1_555 |
3 |
1 |
225 |
19.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
20.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.085 |
30 |
53 |
|
[MLA]B:440 |
3 |
1 |
224 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19862 |
20.6 |
-0.6 |
0.484 |
0 |
0 |
0 |
0.009 |
54 |
|
[MLA]D:440 |
3 |
1 |
225 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
19907 |
20.6 |
-0.2 |
0.809 |
0 |
0 |
0 |
0.009 |
55 |
|
[MLA]A:440 |
3 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19832 |
20.5 |
-0.7 |
0.457 |
0 |
0 |
0 |
0.009 |
56 |
|
[MLA]C:440 |
3 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19964 |
19.7 |
-0.2 |
0.810 |
0 |
0 |
0 |
0.009 |
Average: |
20.4 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.009 |
31 |
57 |
|
D |
4 |
2 |
19964 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
19832 |
17.3 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
[EDO]C:475 |
2 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
19964 |
15.1 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]A:475 |
2 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
19832 |
15.0 |
-0.0 |
0.369 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]B:475 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
19862 |
13.2 |
-0.0 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
-0.0 |
0.377 |
0 |
0 |
0 |
0.000 |
33 |
61 |
|
[EDO]D:475 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
19907 |
14.8 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
|