## |
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 |
356 |
91 |
20911 |
◊ |
A |
x,y,z |
1_555 |
362 |
96 |
19621 |
3449.1 |
-48.1 |
0.003 |
31 |
30 |
0 |
0.487 |
2 |
|
D |
351 |
92 |
20933 |
◊ |
B |
x,y,z |
1_555 |
354 |
92 |
20868 |
3390.0 |
-53.2 |
0.001 |
24 |
26 |
0 |
0.487 |
Average: |
3419.5 |
-50.6 |
0.002 |
28 |
28 |
0 |
0.487 |
2 |
3 |
|
C |
85 |
21 |
20911 |
◊ |
B |
x,y,z |
1_555 |
84 |
21 |
20868 |
713.7 |
0.2 |
0.828 |
13 |
12 |
0 |
0.044 |
4 |
|
D |
81 |
21 |
20933 |
◊ |
A |
x,y,z |
1_555 |
81 |
21 |
19621 |
712.3 |
0.9 |
0.836 |
12 |
11 |
0 |
0.044 |
Average: |
713.0 |
0.6 |
0.832 |
13 |
12 |
0 |
0.044 |
3 |
5 |
|
B |
64 |
17 |
20868 |
◊ |
A |
x,y,z |
1_555 |
70 |
20 |
19621 |
590.2 |
-1.5 |
0.658 |
2 |
4 |
0 |
0.029 |
6 |
|
D |
56 |
15 |
20933 |
◊ |
C |
x,y,z |
1_555 |
60 |
17 |
20911 |
528.7 |
-3.2 |
0.499 |
5 |
4 |
0 |
0.029 |
Average: |
559.4 |
-2.3 |
0.579 |
4 |
4 |
0 |
0.029 |
4 |
7 |
|
D |
72 |
19 |
20933 |
◊ |
C |
x-y+1,x+2,z+1/6 |
6_675 |
67 |
22 |
20911 |
580.7 |
-1.9 |
0.672 |
4 |
4 |
0 |
0.000 |
5 |
8 |
|
D |
40 |
14 |
20933 |
◊ |
A |
x-y+1,x+2,z+1/6 |
6_675 |
37 |
12 |
19621 |
382.2 |
-1.8 |
0.324 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
D |
45 |
11 |
20933 |
◊ |
A |
x-y+2,x+3,z+1/6 |
6_785 |
41 |
17 |
19621 |
381.1 |
0.9 |
0.783 |
4 |
1 |
0 |
0.000 |
7 |
10 |
|
A |
35 |
10 |
19621 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
15 |
20911 |
366.2 |
2.8 |
0.718 |
5 |
7 |
0 |
0.000 |
8 |
11 |
|
B |
41 |
14 |
20868 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
13 |
20933 |
354.7 |
0.6 |
0.699 |
8 |
5 |
0 |
0.000 |
9 |
12 |
|
B |
31 |
11 |
20868 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
8 |
20911 |
246.4 |
2.9 |
0.918 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
19 |
5 |
20868 |
◊ |
A |
x-y+1,x+3,z+1/6 |
6_685 |
28 |
9 |
19621 |
204.7 |
-2.5 |
0.227 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[PEG]C:602 |
7 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
20911 |
160.1 |
3.6 |
0.480 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]A:605 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19621 |
155.3 |
3.4 |
0.417 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]B:603 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
20868 |
154.9 |
3.2 |
0.445 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
18 |
8 |
19621 |
◊ |
D |
x-1,y-1,z |
1_445 |
14 |
7 |
20933 |
137.8 |
-1.7 |
0.369 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[FES]D:603 |
4 |
1 |
234 |
f |
D |
x,y,z |
1_555 |
19 |
13 |
20933 |
133.2 |
-15.6 |
0.392 |
2 |
0 |
0 |
0.216 |
19 |
|
[FES]B:602 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
20868 |
129.5 |
-15.3 |
0.454 |
1 |
0 |
0 |
0.216 |
Average: |
131.3 |
-15.4 |
0.423 |
2 |
0 |
0 |
0.216 |
16 |
20 |
|
B |
21 |
9 |
20868 |
◊ |
C |
x-y,x+2,z+1/6 |
6_575 |
11 |
4 |
20911 |
133.0 |
-1.7 |
0.371 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[FES]C:601 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
19 |
12 |
20911 |
128.8 |
-15.3 |
0.479 |
1 |
0 |
0 |
0.233 |
22 |
|
[FES]A:602 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
19621 |
128.1 |
-14.8 |
0.460 |
3 |
0 |
0 |
0.233 |
Average: |
128.4 |
-15.0 |
0.470 |
2 |
0 |
0 |
0.233 |
18 |
23 |
|
[NA]D:605 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
20933 |
63.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.066 |
19 |
24 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
20933 |
51.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.137 |
25 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
20911 |
51.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.137 |
26 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
20868 |
51.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.137 |
27 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
19621 |
48.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
50.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
28 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19621 |
49.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
29 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
20933 |
48.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
20868 |
48.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
31 |
|
[MG]C:604 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
20911 |
47.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
48.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
32 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
20933 |
33.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.053 |
33 |
|
[MG]C:605 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
20911 |
32.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.053 |
34 |
|
[MG]A:604 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19621 |
32.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.053 |
35 |
|
[MG]B:605 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20868 |
32.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
32.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.053 |
22 |
36 |
|
[FES]A:602 |
3 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20911 |
31.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
37 |
|
[FES]C:601 |
3 |
1 |
236 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19621 |
29.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
30.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
23 |
38 |
|
[FES]B:602 |
3 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20933 |
29.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.029 |
39 |
|
[FES]D:603 |
3 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20868 |
28.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
28.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
40 |
|
[MG]D:604 |
1 |
1 |
98 |
◊ |
A |
x-y+1,x+2,z+1/6 |
6_675 |
3 |
2 |
19621 |
18.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
C |
3 |
1 |
20911 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
20868 |
17.4 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[MG]C:604 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19621 |
8.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
43 |
|
[MG]A:603 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20911 |
6.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
44 |
|
[MG]D:602 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20868 |
6.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
45 |
|
[MG]B:604 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20933 |
5.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
46 |
|
[FES]A:602 |
1 |
1 |
235 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|