## |
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 |
207 |
54 |
11677 |
◊ |
C |
x,y,z |
1_555 |
228 |
61 |
11911 |
1961.3 |
-28.3 |
0.107 |
16 |
1 |
1 |
1.000 |
2 |
|
B |
198 |
55 |
11800 |
◊ |
A |
x,y,z |
1_555 |
218 |
61 |
11662 |
1804.8 |
-27.8 |
0.079 |
13 |
1 |
0 |
1.000 |
Average: |
1883.1 |
-28.0 |
0.093 |
15 |
1 |
1 |
1.000 |
2 |
3 |
|
C |
67 |
22 |
11911 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
57 |
20 |
11800 |
628.4 |
-3.3 |
0.653 |
10 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
52 |
19 |
11800 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
17 |
11677 |
454.1 |
3.1 |
0.945 |
11 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
50 |
16 |
11800 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
14 |
11662 |
427.1 |
-0.2 |
0.796 |
9 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
30 |
12 |
11911 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
25 |
9 |
11677 |
267.5 |
-3.4 |
0.336 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
36 |
13 |
11662 |
f |
[DOE]D:501 |
x-1,y,z |
1_455 |
18 |
1 |
814 |
259.5 |
-2.0 |
0.249 |
4 |
0 |
0 |
0.058 |
7 |
8 |
|
[DOE]D:501 |
24 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
33 |
11 |
11677 |
232.7 |
0.5 |
0.499 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[DOE]B:500 |
19 |
1 |
809 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
11800 |
224.0 |
0.3 |
0.499 |
7 |
0 |
0 |
0.000 |
9 |
10 |
|
C |
20 |
8 |
11911 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
11662 |
221.0 |
-1.4 |
0.478 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
23 |
6 |
11911 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
9 |
11662 |
216.4 |
0.9 |
0.706 |
2 |
1 |
0 |
0.000 |
11 |
12 |
|
B |
26 |
9 |
11800 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
10 |
11662 |
215.9 |
0.4 |
0.751 |
1 |
2 |
0 |
0.000 |
12 |
13 |
|
C |
23 |
9 |
11911 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
6 |
11800 |
215.1 |
-0.4 |
0.653 |
4 |
0 |
0 |
0.000 |
13 |
14 |
|
B |
26 |
9 |
11800 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
10 |
11662 |
181.9 |
-0.7 |
0.627 |
2 |
1 |
0 |
0.000 |
14 |
15 |
|
A |
15 |
6 |
11662 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
8 |
11677 |
146.3 |
-1.5 |
0.448 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[DOE]B:500 |
12 |
1 |
809 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
11662 |
141.2 |
1.1 |
0.571 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[DOE]D:501 |
12 |
1 |
814 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
11911 |
141.1 |
1.1 |
0.600 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[NAG]D:400 |
8 |
1 |
367 |
cf |
D |
x,y,z |
1_555 |
15 |
7 |
11677 |
126.3 |
5.2 |
0.640 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
A |
16 |
8 |
11662 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
11911 |
111.3 |
1.7 |
0.840 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[DOE]B:500 |
9 |
1 |
809 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
11662 |
110.4 |
-1.7 |
0.247 |
1 |
0 |
0 |
0.032 |
20 |
21 |
|
B |
12 |
4 |
11800 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
11911 |
94.6 |
-1.6 |
0.206 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
C |
12 |
3 |
11911 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
12 |
4 |
11662 |
91.6 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
A |
12 |
4 |
11662 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
11677 |
85.5 |
-0.5 |
0.580 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
C |
15 |
6 |
11911 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
11911 |
74.6 |
0.6 |
0.782 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
D |
10 |
3 |
11677 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
11800 |
71.0 |
0.5 |
0.788 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[DOE]B:500 |
5 |
1 |
809 |
f |
[YT3]B:502 |
x,y,z |
1_555 |
1 |
1 |
196 |
66.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.182 |
27 |
|
[DOE]D:501 |
7 |
1 |
814 |
f |
[YT3]D:503 |
x,y,z |
1_555 |
1 |
1 |
196 |
66.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.182 |
Average: |
66.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.182 |
26 |
28 |
|
C |
6 |
3 |
11911 |
◊ |
[NAG]D:400 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
367 |
63.9 |
-0.0 |
0.181 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[YT3]B:502 |
1 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11800 |
62.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[YT3]D:503 |
1 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
11677 |
59.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
61.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[DOE]B:500 |
9 |
1 |
809 |
f |
[CL]A:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
48.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.154 |
32 |
|
[DOE]D:501 |
9 |
1 |
814 |
f |
[CL]C:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
47.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
47.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.154 |
29 |
33 |
|
D |
5 |
4 |
11677 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
11800 |
48.3 |
0.5 |
0.583 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
D |
6 |
2 |
11677 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11662 |
39.1 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
B |
2 |
2 |
11800 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11911 |
18.5 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11911 |
17.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11662 |
17.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[YT3]D:503 |
1 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
11911 |
16.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[YT3]B:502 |
1 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11662 |
14.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[YT3]D:503 |
1 |
1 |
196 |
f |
[CL]C:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
35 |
41 |
|
A |
1 |
1 |
11662 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
11662 |
11.3 |
-0.4 |
0.215 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[YT3]B:502 |
1 |
1 |
196 |
f |
[CL]A:504 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
37 |
43 |
|
A |
1 |
1 |
11662 |
f |
[CL]C:505 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
|