## |
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 |
427 |
120 |
19299 |
◊ |
C |
x,y,z |
1_555 |
438 |
123 |
19021 |
4177.8 |
-57.9 |
0.024 |
68 |
7 |
0 |
0.953 |
2 |
|
B |
423 |
122 |
19094 |
◊ |
A |
x,y,z |
1_555 |
426 |
121 |
19854 |
4089.9 |
-56.6 |
0.035 |
62 |
7 |
0 |
0.953 |
Average: |
4133.8 |
-57.2 |
0.029 |
65 |
7 |
0 |
0.953 |
2 |
3 |
|
D |
117 |
38 |
19299 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
19854 |
1154.2 |
-17.0 |
0.096 |
17 |
10 |
0 |
0.722 |
4 |
|
C |
111 |
36 |
19021 |
◊ |
B |
x,y,z |
1_555 |
114 |
35 |
19094 |
1104.3 |
-17.8 |
0.066 |
15 |
11 |
0 |
0.722 |
Average: |
1129.2 |
-17.4 |
0.081 |
16 |
11 |
0 |
0.722 |
3 |
5 |
|
D |
61 |
21 |
19299 |
◊ |
B |
x,y,z |
1_555 |
61 |
21 |
19094 |
605.9 |
-13.1 |
0.029 |
3 |
0 |
0 |
0.644 |
6 |
|
C |
59 |
20 |
19021 |
◊ |
A |
x,y,z |
1_555 |
59 |
21 |
19854 |
602.6 |
-12.9 |
0.028 |
3 |
0 |
0 |
0.644 |
Average: |
604.3 |
-13.0 |
0.029 |
3 |
0 |
0 |
0.644 |
4 |
7 |
|
[COA]B:101 |
40 |
1 |
938 |
f |
B |
x,y,z |
1_555 |
70 |
22 |
19094 |
502.1 |
1.4 |
0.682 |
11 |
0 |
0 |
0.373 |
8 |
|
[COA]C:102 |
37 |
1 |
934 |
f |
C |
x,y,z |
1_555 |
64 |
20 |
19021 |
488.0 |
1.7 |
0.694 |
12 |
0 |
0 |
0.373 |
9 |
|
[COA]D:103 |
38 |
1 |
945 |
f |
D |
x,y,z |
1_555 |
61 |
20 |
19299 |
474.2 |
0.0 |
0.556 |
11 |
0 |
0 |
0.373 |
10 |
|
[COA]A:100 |
37 |
1 |
936 |
f |
A |
x,y,z |
1_555 |
67 |
20 |
19854 |
464.7 |
1.6 |
0.703 |
9 |
0 |
0 |
0.373 |
Average: |
482.3 |
1.2 |
0.659 |
11 |
0 |
0 |
0.373 |
5 |
11 |
|
B |
36 |
15 |
19094 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
44 |
12 |
19299 |
322.3 |
-1.7 |
0.636 |
2 |
1 |
0 |
0.000 |
6 |
12 |
|
A |
22 |
6 |
19854 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
25 |
9 |
19299 |
197.4 |
1.6 |
0.851 |
3 |
4 |
0 |
0.000 |
7 |
13 |
|
[DTT]B:302 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
19854 |
171.9 |
-2.3 |
0.583 |
3 |
0 |
0 |
0.100 |
8 |
14 |
|
[DTT]C:301 |
8 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
19021 |
165.0 |
-2.0 |
0.578 |
6 |
0 |
0 |
0.126 |
9 |
15 |
|
[COA]B:101 |
19 |
1 |
938 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
19854 |
150.0 |
-1.3 |
0.401 |
1 |
0 |
0 |
0.042 |
16 |
|
[COA]D:103 |
17 |
1 |
945 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
19021 |
149.1 |
-1.3 |
0.385 |
1 |
0 |
0 |
0.042 |
17 |
|
[COA]A:100 |
16 |
1 |
936 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
19094 |
145.8 |
-0.9 |
0.424 |
1 |
0 |
0 |
0.042 |
18 |
|
[COA]C:102 |
17 |
1 |
934 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
19299 |
145.5 |
-1.9 |
0.362 |
1 |
0 |
0 |
0.042 |
Average: |
147.6 |
-1.3 |
0.393 |
1 |
0 |
0 |
0.042 |
10 |
19 |
|
D |
13 |
5 |
19299 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
5 |
19094 |
132.8 |
-0.8 |
0.554 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[MAH]A:200 |
9 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
19854 |
122.1 |
3.4 |
0.558 |
2 |
0 |
0 |
0.000 |
21 |
|
[MAH]B:201 |
9 |
1 |
301 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
19094 |
120.3 |
3.4 |
0.556 |
2 |
0 |
0 |
0.000 |
22 |
|
[MAH]D:202 |
9 |
1 |
301 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
19021 |
120.2 |
3.3 |
0.527 |
2 |
0 |
0 |
0.000 |
23 |
|
[MAH]D:203 |
9 |
1 |
300 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
19299 |
118.1 |
3.5 |
0.554 |
2 |
0 |
0 |
0.000 |
Average: |
120.1 |
3.4 |
0.549 |
2 |
0 |
0 |
0.000 |
12 |
24 |
|
[MAH]A:200 |
10 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19094 |
116.8 |
3.1 |
0.244 |
7 |
0 |
0 |
0.000 |
25 |
|
[MAH]D:203 |
10 |
1 |
300 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
19021 |
116.7 |
3.1 |
0.243 |
6 |
0 |
0 |
0.000 |
26 |
|
[MAH]D:202 |
10 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
19299 |
115.5 |
3.0 |
0.242 |
6 |
0 |
0 |
0.000 |
27 |
|
[MAH]B:201 |
10 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
19854 |
115.0 |
3.2 |
0.244 |
6 |
0 |
0 |
0.000 |
Average: |
116.0 |
3.1 |
0.244 |
6 |
0 |
0 |
0.000 |
13 |
28 |
|
D |
7 |
2 |
19299 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
19021 |
94.0 |
-1.5 |
0.254 |
0 |
0 |
0 |
0.000 |
14 |
29 |
|
[DTT]C:301 |
4 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
19299 |
71.2 |
-0.1 |
0.646 |
1 |
0 |
0 |
0.005 |
15 |
30 |
|
[DTT]B:302 |
5 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
19094 |
68.8 |
0.8 |
0.705 |
3 |
0 |
0 |
0.006 |
16 |
31 |
|
B |
6 |
2 |
19094 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
6 |
2 |
19299 |
64.8 |
-0.1 |
0.581 |
0 |
1 |
0 |
0.000 |
17 |
32 |
|
A |
11 |
4 |
19854 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
19021 |
62.9 |
1.2 |
0.788 |
1 |
1 |
0 |
0.000 |
18 |
33 |
|
B |
4 |
3 |
19094 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
19094 |
48.8 |
1.5 |
0.881 |
1 |
0 |
0 |
0.000 |
19 |
34 |
|
[MAH]D:203 |
5 |
1 |
300 |
◊ |
[COA]D:103 |
x,y,z |
1_555 |
4 |
1 |
945 |
37.1 |
1.8 |
0.301 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[MAH]D:202 |
5 |
1 |
301 |
◊ |
[COA]C:102 |
x,y,z |
1_555 |
4 |
1 |
934 |
36.7 |
1.8 |
0.305 |
0 |
0 |
0 |
0.000 |
36 |
|
[MAH]A:200 |
5 |
1 |
302 |
◊ |
[COA]A:100 |
x,y,z |
1_555 |
4 |
1 |
936 |
36.5 |
1.8 |
0.303 |
0 |
0 |
0 |
0.000 |
37 |
|
[MAH]B:201 |
5 |
1 |
301 |
◊ |
[COA]B:101 |
x,y,z |
1_555 |
4 |
1 |
938 |
36.1 |
1.6 |
0.291 |
0 |
0 |
0 |
0.000 |
Average: |
36.4 |
1.7 |
0.300 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
C |
4 |
2 |
19021 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
19094 |
30.7 |
0.9 |
0.876 |
2 |
3 |
0 |
0.000 |
39 |
|
D |
2 |
1 |
19299 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
19854 |
21.6 |
0.7 |
0.868 |
1 |
1 |
0 |
0.000 |
Average: |
26.1 |
0.8 |
0.872 |
2 |
2 |
0 |
0.000 |
22 |
40 |
|
B |
1 |
1 |
19094 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
19021 |
17.9 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
|