## |
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 |
290 |
78 |
22554 |
◊ |
C |
x,y,z |
1_555 |
286 |
77 |
22680 |
2850.4 |
-31.1 |
0.029 |
32 |
16 |
0 |
0.610 |
2 |
|
B |
291 |
78 |
22978 |
◊ |
A |
x,y,z |
1_555 |
290 |
75 |
22638 |
2821.0 |
-35.8 |
0.013 |
31 |
14 |
0 |
0.610 |
Average: |
2835.7 |
-33.5 |
0.021 |
32 |
15 |
0 |
0.610 |
2 |
3 |
|
C |
140 |
40 |
22680 |
◊ |
A |
x,y,z |
1_555 |
137 |
38 |
22638 |
1404.9 |
-11.2 |
0.239 |
15 |
12 |
0 |
0.430 |
4 |
|
D |
129 |
37 |
22554 |
◊ |
B |
x,y,z |
1_555 |
132 |
37 |
22978 |
1348.6 |
-11.0 |
0.226 |
17 |
12 |
0 |
0.430 |
Average: |
1376.8 |
-11.1 |
0.233 |
16 |
12 |
0 |
0.430 |
3 |
5 |
|
[NZT]D:603 |
33 |
1 |
689 |
f |
D |
x,y,z |
1_555 |
54 |
18 |
22554 |
362.0 |
-6.2 |
0.301 |
2 |
0 |
0 |
0.150 |
4 |
6 |
|
[NZT]A:603 |
29 |
1 |
698 |
f |
A |
x,y,z |
1_555 |
50 |
16 |
22638 |
335.4 |
-6.9 |
0.299 |
2 |
0 |
0 |
0.163 |
5 |
7 |
|
A |
36 |
11 |
22638 |
◊ |
B |
x,y-1,z |
1_545 |
40 |
13 |
22978 |
327.3 |
-3.8 |
0.299 |
2 |
1 |
0 |
0.000 |
6 |
8 |
|
[NZT]A:603 |
25 |
1 |
698 |
◊ |
B |
x,y,z |
1_555 |
42 |
11 |
22978 |
287.0 |
-4.9 |
0.447 |
1 |
0 |
0 |
0.063 |
9 |
|
[NZT]D:603 |
21 |
1 |
689 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
22680 |
250.6 |
-4.2 |
0.494 |
1 |
0 |
0 |
0.063 |
Average: |
268.8 |
-4.5 |
0.471 |
1 |
0 |
0 |
0.063 |
7 |
10 |
|
C |
32 |
11 |
22680 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
31 |
10 |
22554 |
280.1 |
-0.3 |
0.620 |
6 |
1 |
0 |
0.000 |
8 |
11 |
|
A |
32 |
11 |
22638 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
15 |
22978 |
278.0 |
0.8 |
0.726 |
3 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
24 |
8 |
22680 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
32 |
12 |
22638 |
242.2 |
-1.4 |
0.461 |
2 |
1 |
0 |
0.000 |
10 |
13 |
|
B |
28 |
10 |
22978 |
◊ |
B |
-x,y,-z+1 |
2_556 |
28 |
10 |
22978 |
236.9 |
-1.4 |
0.497 |
2 |
2 |
0 |
0.000 |
11 |
14 |
|
D |
27 |
10 |
22554 |
◊ |
D |
-x,y,-z |
2_555 |
27 |
10 |
22554 |
201.0 |
1.5 |
0.788 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
19 |
7 |
22680 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
15 |
4 |
22638 |
132.4 |
-0.2 |
0.504 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[OXL]B:601 |
6 |
1 |
201 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
22978 |
116.4 |
2.0 |
0.556 |
5 |
0 |
0 |
0.005 |
14 |
17 |
|
D |
15 |
5 |
22554 |
◊ |
A |
-x,y,-z |
2_555 |
11 |
3 |
22638 |
115.1 |
0.7 |
0.653 |
1 |
7 |
0 |
0.000 |
15 |
18 |
|
[OXL]A:601 |
6 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
22638 |
115.1 |
1.8 |
0.456 |
5 |
0 |
0 |
0.009 |
16 |
19 |
|
[OXL]D:601 |
6 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
22554 |
114.7 |
1.8 |
0.455 |
6 |
0 |
0 |
0.017 |
17 |
20 |
|
[OXL]C:601 |
6 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
22680 |
113.7 |
1.8 |
0.459 |
6 |
0 |
0 |
0.018 |
18 |
21 |
|
D |
8 |
3 |
22554 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
3 |
22978 |
68.5 |
0.1 |
0.536 |
1 |
1 |
0 |
0.000 |
19 |
22 |
|
C |
8 |
3 |
22680 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
16 |
6 |
22978 |
67.8 |
0.4 |
0.676 |
1 |
2 |
0 |
0.000 |
20 |
23 |
|
C |
11 |
5 |
22680 |
◊ |
B |
-x,y,-z+1 |
2_556 |
9 |
5 |
22978 |
66.4 |
-0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
22680 |
42.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.240 |
25 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22638 |
41.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.240 |
26 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
22554 |
41.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.240 |
27 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
22978 |
41.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
41.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.240 |
22 |
28 |
|
C |
3 |
1 |
22680 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22978 |
37.6 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
4 |
2 |
22554 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22638 |
26.6 |
0.5 |
0.780 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[OXL]B:601 |
x,y,z |
1_555 |
4 |
1 |
201 |
34.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.160 |
31 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
[OXL]D:601 |
x,y,z |
1_555 |
4 |
1 |
199 |
33.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
34.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.160 |
24 |
32 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
[OXL]A:601 |
x,y,z |
1_555 |
3 |
1 |
199 |
33.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.084 |
25 |
33 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
[OXL]C:601 |
x,y,z |
1_555 |
4 |
1 |
198 |
33.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.072 |
26 |
34 |
|
D |
3 |
1 |
22554 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
22638 |
30.7 |
0.2 |
0.610 |
0 |
1 |
0 |
0.000 |
27 |
35 |
|
C |
2 |
2 |
22680 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
22554 |
21.1 |
1.0 |
0.901 |
1 |
1 |
0 |
0.000 |
28 |
36 |
|
B |
4 |
2 |
22978 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
4 |
22638 |
14.6 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
|