## |
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 |
109 |
34 |
22084 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
119 |
38 |
21929 |
966.6 |
2.1 |
0.789 |
16 |
4 |
0 |
0.000 |
2 |
|
A |
107 |
36 |
22144 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
95 |
31 |
22044 |
846.2 |
-0.4 |
0.650 |
12 |
0 |
0 |
0.000 |
Average: |
906.4 |
0.8 |
0.719 |
14 |
2 |
0 |
0.000 |
2 |
3 |
|
D |
85 |
24 |
22044 |
◊ |
A |
x,y,z |
1_555 |
98 |
33 |
22144 |
759.6 |
-6.2 |
0.227 |
9 |
0 |
0 |
0.000 |
4 |
|
C |
77 |
20 |
22084 |
◊ |
B |
x,y,z |
1_555 |
92 |
33 |
21929 |
736.4 |
-3.1 |
0.347 |
8 |
0 |
0 |
0.000 |
Average: |
748.0 |
-4.6 |
0.287 |
9 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
24 |
7 |
22084 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
22144 |
287.7 |
1.8 |
0.793 |
5 |
3 |
0 |
0.000 |
4 |
6 |
|
A |
30 |
10 |
22144 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
26 |
11 |
22044 |
211.2 |
0.8 |
0.681 |
1 |
3 |
0 |
0.000 |
7 |
|
C |
9 |
6 |
22084 |
◊ |
B |
-x+2,y-1/2,-z-1 |
2_744 |
10 |
5 |
21929 |
63.6 |
-0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
Average: |
137.4 |
0.1 |
0.548 |
1 |
2 |
0 |
0.000 |
5 |
8 |
|
B |
16 |
5 |
21929 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
5 |
22044 |
134.9 |
1.2 |
0.683 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
[EDO]D:1006 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
22044 |
119.3 |
3.4 |
0.609 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:1006 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
22144 |
119.2 |
4.0 |
0.662 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[EDO]B:1004 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
21929 |
119.1 |
3.3 |
0.591 |
3 |
0 |
0 |
0.000 |
9 |
12 |
|
D |
14 |
5 |
22044 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
21929 |
118.9 |
-1.5 |
0.273 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]D:1005 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
22044 |
118.7 |
4.0 |
0.539 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]B:1006 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
21929 |
116.7 |
2.9 |
0.394 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:1005 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22144 |
107.8 |
3.5 |
0.464 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]D:1007 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
22044 |
106.9 |
3.8 |
0.533 |
3 |
0 |
0 |
0.000 |
14 |
17 |
|
C |
14 |
5 |
22084 |
x |
C |
-x+1,y-1/2,-z-1 |
2_644 |
9 |
3 |
22084 |
106.7 |
-1.3 |
0.290 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
11 |
4 |
22044 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
13 |
4 |
22044 |
85.8 |
-2.0 |
0.201 |
0 |
0 |
0 |
0.000 |
Average: |
96.2 |
-1.7 |
0.246 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]C:1003 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
22084 |
106.0 |
3.9 |
0.511 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:1005 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
21929 |
105.7 |
3.7 |
0.511 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]D:1009 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
19 |
9 |
22044 |
105.5 |
3.6 |
0.480 |
3 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]D:1003 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
22044 |
103.7 |
3.2 |
0.409 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]B:1002 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
21929 |
102.2 |
2.5 |
0.419 |
6 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]D:1008 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
22044 |
102.1 |
2.8 |
0.416 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]A:1003 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
22144 |
101.7 |
2.8 |
0.434 |
6 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]B:1003 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
10 |
21929 |
100.0 |
3.2 |
0.559 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]C:1002 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
22084 |
96.4 |
2.9 |
0.395 |
2 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]A:1002 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
22144 |
95.2 |
3.1 |
0.490 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]B:1007 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
21929 |
94.9 |
2.3 |
0.392 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]D:1002 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
22044 |
94.0 |
2.2 |
0.263 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:1004 |
4 |
1 |
185 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
22044 |
90.1 |
3.9 |
0.342 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]D:1004 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
22044 |
90.0 |
2.2 |
0.274 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]C:1004 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
22084 |
89.2 |
2.4 |
0.259 |
3 |
0 |
0 |
0.000 |
30 |
34 |
|
C |
9 |
5 |
22084 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
5 |
22144 |
70.7 |
-1.2 |
0.275 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]C:1005 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
22084 |
66.0 |
1.5 |
0.677 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
A |
8 |
3 |
22144 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
5 |
22044 |
63.6 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
1 |
1 |
22084 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
21929 |
12.6 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
38.1 |
0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
21929 |
49.4 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.183 |
39 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
22084 |
49.1 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.183 |
40 |
|
[ZN]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
22044 |
48.6 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.183 |
41 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22144 |
48.1 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
48.8 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.183 |
34 |
42 |
|
C |
6 |
2 |
22084 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
2 |
22044 |
49.4 |
0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]A:1004 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
22144 |
40.4 |
1.8 |
0.981 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[EDO]B:1007 |
2 |
1 |
183 |
f |
D |
x,y,z-1 |
1_554 |
3 |
1 |
22044 |
37.0 |
1.3 |
0.927 |
1 |
0 |
0 |
0.000 |
37 |
45 |
|
[EDO]C:1005 |
3 |
1 |
184 |
f |
[EDO]C:1004 |
x,y,z |
1_555 |
3 |
1 |
183 |
33.8 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[EDO]D:1003 |
4 |
1 |
183 |
f |
[EDO]D:1002 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.4 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[EDO]A:1004 |
2 |
1 |
185 |
f |
[EDO]D:1005 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
184 |
29.8 |
1.9 |
0.707 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[EDO]C:1004 |
3 |
1 |
183 |
f |
[EDO]C:1002 |
x,y,z |
1_555 |
4 |
1 |
182 |
29.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
A |
4 |
2 |
22144 |
f |
[EDO]D:1009 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
182 |
27.6 |
0.7 |
0.850 |
1 |
0 |
0 |
0.000 |
42 |
50 |
|
[EDO]B:1003 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
22084 |
26.6 |
0.2 |
0.736 |
1 |
0 |
0 |
0.000 |
43 |
51 |
|
[EDO]C:1005 |
3 |
1 |
184 |
f |
[EDO]C:1002 |
x,y,z |
1_555 |
2 |
1 |
182 |
11.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
C |
1 |
1 |
22084 |
f |
[EDO]B:1004 |
-x+1,y-1/2,-z-1 |
2_644 |
2 |
1 |
185 |
9.0 |
0.3 |
0.901 |
0 |
0 |
0 |
0.000 |
|