## |
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 |
329 |
92 |
23896 |
◊ |
A |
x,y,z |
1_555 |
307 |
87 |
22854 |
3206.0 |
-34.5 |
0.049 |
42 |
21 |
0 |
0.653 |
2 |
|
C |
319 |
89 |
23566 |
◊ |
B |
x,y,z |
1_555 |
288 |
85 |
22939 |
3130.3 |
-32.4 |
0.063 |
43 |
20 |
0 |
0.653 |
Average: |
3168.2 |
-33.5 |
0.056 |
43 |
21 |
0 |
0.653 |
2 |
3 |
|
C |
157 |
44 |
23566 |
◊ |
A |
x,y,z |
1_555 |
164 |
50 |
22854 |
1517.4 |
-1.3 |
0.805 |
41 |
0 |
0 |
0.419 |
4 |
|
D |
159 |
44 |
23896 |
◊ |
B |
x,y,z |
1_555 |
158 |
48 |
22939 |
1495.8 |
-1.7 |
0.804 |
41 |
0 |
0 |
0.419 |
Average: |
1506.6 |
-1.5 |
0.805 |
41 |
0 |
0 |
0.419 |
3 |
5 |
|
D |
80 |
23 |
23896 |
◊ |
C |
x,y,z |
1_555 |
81 |
23 |
23566 |
778.3 |
-8.3 |
0.237 |
9 |
4 |
0 |
0.056 |
4 |
6 |
|
B |
57 |
16 |
22939 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
54 |
15 |
23896 |
572.2 |
4.5 |
0.931 |
12 |
6 |
0 |
0.000 |
5 |
7 |
|
[TOI]D:602 |
41 |
1 |
916 |
f |
D |
x,y,z |
1_555 |
60 |
26 |
23896 |
476.5 |
-6.6 |
0.446 |
16 |
0 |
0 |
0.288 |
8 |
|
[TOI]C:601 |
42 |
1 |
917 |
f |
C |
x,y,z |
1_555 |
62 |
25 |
23566 |
475.8 |
-6.6 |
0.479 |
16 |
0 |
0 |
0.288 |
Average: |
476.2 |
-6.6 |
0.463 |
16 |
0 |
0 |
0.288 |
6 |
9 |
|
A |
45 |
13 |
22854 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
44 |
12 |
22939 |
473.8 |
0.7 |
0.789 |
6 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
57 |
19 |
22939 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
22854 |
436.7 |
5.1 |
0.960 |
6 |
10 |
0 |
0.000 |
8 |
11 |
|
[TOI]C:601 |
29 |
1 |
917 |
◊ |
B |
x,y,z |
1_555 |
35 |
14 |
22939 |
253.4 |
2.8 |
0.868 |
8 |
0 |
0 |
0.010 |
12 |
|
[TOI]D:602 |
28 |
1 |
916 |
◊ |
A |
x,y,z |
1_555 |
35 |
14 |
22854 |
252.1 |
2.8 |
0.864 |
7 |
0 |
0 |
0.010 |
Average: |
252.8 |
2.8 |
0.866 |
8 |
0 |
0 |
0.010 |
9 |
13 |
|
A |
18 |
6 |
22854 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
19 |
5 |
23566 |
160.6 |
0.8 |
0.788 |
1 |
1 |
0 |
0.000 |
10 |
14 |
|
D |
17 |
5 |
23896 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
23566 |
144.8 |
-0.1 |
0.654 |
2 |
4 |
0 |
0.000 |
11 |
15 |
|
A |
14 |
4 |
22854 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
15 |
4 |
23896 |
134.9 |
1.3 |
0.810 |
1 |
3 |
0 |
0.000 |
12 |
16 |
|
[BME]D:603 |
4 |
1 |
205 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
23896 |
119.6 |
-0.5 |
0.450 |
2 |
0 |
0 |
0.029 |
13 |
17 |
|
[BME]C:603 |
4 |
1 |
203 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
23566 |
114.6 |
-0.2 |
0.455 |
4 |
0 |
0 |
0.034 |
14 |
18 |
|
[FMT]B:601 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
22939 |
104.2 |
-0.3 |
0.400 |
2 |
0 |
0 |
0.100 |
15 |
19 |
|
[FMT]A:602 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
22854 |
90.3 |
-0.1 |
0.638 |
3 |
0 |
0 |
0.025 |
16 |
20 |
|
A |
10 |
3 |
22854 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
2 |
23566 |
77.9 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
9 |
2 |
23896 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
22939 |
45.8 |
0.6 |
0.779 |
0 |
0 |
0 |
0.000 |
Average: |
61.8 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22854 |
47.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.243 |
23 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
23566 |
37.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.243 |
24 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
23896 |
37.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
40.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.243 |
18 |
25 |
|
D |
7 |
4 |
23896 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
5 |
23566 |
42.4 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[TOI]D:602 |
4 |
1 |
916 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
27 |
|
[TOI]C:601 |
4 |
1 |
917 |
f |
[MG]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
31.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.109 |
20 |
28 |
|
[FMT]A:602 |
1 |
1 |
149 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.033 |
|