## |
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 |
|
A |
111 |
29 |
20076 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
111 |
29 |
20076 |
1002.3 |
-6.8 |
0.392 |
10 |
0 |
0 |
0.000 |
2 |
|
D |
104 |
26 |
20189 |
◊ |
D |
-x,y,-z-3 |
2_552 |
104 |
26 |
20189 |
963.9 |
-5.0 |
0.462 |
12 |
0 |
0 |
0.000 |
3 |
|
B |
105 |
28 |
20006 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
104 |
28 |
20006 |
957.7 |
-8.0 |
0.291 |
10 |
0 |
0 |
0.000 |
4 |
|
C |
104 |
25 |
19969 |
◊ |
C |
-x,y,-z-1 |
2_554 |
104 |
25 |
19969 |
917.5 |
-7.1 |
0.370 |
12 |
0 |
0 |
0.000 |
Average: |
960.3 |
-6.7 |
0.379 |
11 |
0 |
0 |
0.000 |
2 |
5 |
|
C |
105 |
28 |
19969 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
103 |
28 |
20006 |
930.7 |
-11.8 |
0.110 |
12 |
4 |
0 |
0.000 |
6 |
|
A |
101 |
28 |
20076 |
◊ |
D |
-x+1/2,y-1/2,-z-2 |
4_543 |
103 |
28 |
20189 |
912.4 |
-10.9 |
0.131 |
12 |
4 |
0 |
0.000 |
Average: |
921.5 |
-11.3 |
0.121 |
12 |
4 |
0 |
0.000 |
3 |
7 |
|
B |
51 |
17 |
20006 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
20076 |
437.0 |
-3.0 |
0.443 |
6 |
6 |
0 |
0.000 |
4 |
8 |
|
D |
22 |
8 |
20189 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20006 |
166.5 |
-2.9 |
0.193 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
20 |
7 |
19969 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20076 |
165.1 |
-3.0 |
0.181 |
1 |
0 |
0 |
0.000 |
Average: |
165.8 |
-3.0 |
0.187 |
1 |
0 |
0 |
0.000 |
5 |
10 |
|
[DMS]C:506 |
4 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
19969 |
147.8 |
3.3 |
0.518 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
[DMS]A:508 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
20076 |
145.0 |
3.2 |
0.515 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[DMS]D:504 |
4 |
1 |
204 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
20189 |
140.6 |
3.5 |
0.610 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[DMS]B:508 |
4 |
1 |
204 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
20006 |
140.0 |
3.5 |
0.516 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[DMS]C:505 |
4 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
19969 |
136.7 |
2.6 |
0.509 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[DMS]A:507 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
20076 |
133.9 |
2.6 |
0.472 |
0 |
0 |
0 |
0.000 |
16 |
|
[DMS]B:507 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
20006 |
128.2 |
2.4 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
131.1 |
2.5 |
0.469 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
20076 |
128.0 |
3.6 |
0.639 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
20006 |
127.2 |
3.6 |
0.447 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]D:502 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
20189 |
126.8 |
3.6 |
0.633 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[DMS]D:503 |
4 |
1 |
204 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
20189 |
126.2 |
3.1 |
0.467 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
A |
14 |
7 |
20076 |
◊ |
C |
x,y,z-1 |
1_554 |
16 |
5 |
19969 |
126.1 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
13 |
3 |
20189 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
7 |
20006 |
119.5 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
122.8 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]C:502 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
19969 |
126.0 |
3.8 |
0.661 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]A:505 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
20076 |
114.1 |
2.8 |
0.413 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
20076 |
108.9 |
2.7 |
0.426 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
20006 |
107.3 |
2.7 |
0.430 |
3 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]B:504 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
20006 |
106.8 |
3.5 |
0.520 |
6 |
0 |
0 |
0.000 |
28 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
19969 |
105.4 |
3.4 |
0.510 |
6 |
0 |
0 |
0.000 |
Average: |
106.1 |
3.4 |
0.515 |
6 |
0 |
0 |
0.000 |
21 |
29 |
|
[EDO]A:501 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
20076 |
106.7 |
3.5 |
0.523 |
6 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]C:504 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
19969 |
95.9 |
2.4 |
0.275 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20006 |
93.9 |
2.3 |
0.482 |
2 |
0 |
0 |
0.000 |
24 |
32 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
20006 |
93.3 |
2.7 |
0.295 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20076 |
90.5 |
2.4 |
0.283 |
1 |
0 |
0 |
0.000 |
26 |
34 |
|
[EDO]B:501 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20006 |
81.4 |
2.4 |
0.261 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[EDO]C:501 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
19969 |
77.3 |
2.5 |
0.450 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]D:501 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
20189 |
76.5 |
2.4 |
0.452 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]A:503 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
20076 |
76.5 |
1.7 |
0.280 |
2 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]A:503 |
3 |
1 |
180 |
◊ |
D |
-x+1/2,y-1/2,-z-2 |
4_543 |
6 |
2 |
20189 |
46.1 |
1.3 |
0.211 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
A |
6 |
2 |
20076 |
f |
[EDO]D:501 |
-x+1/2,y-1/2,-z-2 |
4_543 |
4 |
1 |
183 |
43.9 |
0.3 |
0.561 |
1 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]C:501 |
4 |
1 |
183 |
f |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
6 |
2 |
20006 |
43.3 |
0.2 |
0.553 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
B |
7 |
2 |
20006 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
7 |
2 |
20076 |
43.0 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
C |
6 |
2 |
19969 |
f |
[EDO]B:501 |
-x+1/2,y-1/2,-z-1 |
4_544 |
4 |
1 |
184 |
42.8 |
0.4 |
0.591 |
1 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]B:506 |
3 |
1 |
185 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.3 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[EDO]A:505 |
3 |
1 |
183 |
f |
A |
-x+1,y,-z-1 |
2_654 |
3 |
1 |
20076 |
34.0 |
1.0 |
0.915 |
1 |
0 |
0 |
0.000 |
37 |
45 |
|
C |
1 |
1 |
19969 |
◊ |
A |
-x,y,-z-2 |
2_553 |
3 |
1 |
20076 |
33.3 |
-1.1 |
0.068 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
1 |
1 |
20189 |
◊ |
B |
-x,y,-z-2 |
2_553 |
2 |
1 |
20006 |
19.0 |
-0.6 |
0.148 |
0 |
0 |
0 |
0.000 |
Average: |
26.2 |
-0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[DMS]B:507 |
3 |
1 |
209 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.4 |
1.4 |
0.451 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[EDO]B:504 |
4 |
1 |
186 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.3 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
40 |
49 |
|
B |
1 |
1 |
20006 |
◊ |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
20006 |
12.4 |
0.9 |
0.960 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
1 |
1 |
20076 |
◊ |
A |
-x+1,y,-z-2 |
2_653 |
1 |
1 |
20076 |
9.1 |
0.7 |
0.937 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
0.8 |
0.948 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[DMS]C:505 |
1 |
1 |
210 |
f |
[EDO]C:504 |
x,y,z |
1_555 |
3 |
1 |
186 |
11.1 |
0.7 |
0.707 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
[DMS]A:507 |
1 |
1 |
209 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
184 |
6.6 |
0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[DMS]B:507 |
1 |
1 |
209 |
f |
[EDO]B:506 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.0 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[EDO]C:504 |
2 |
1 |
186 |
f |
[EDO]C:503 |
x,y,z |
1_555 |
2 |
1 |
184 |
4.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[EDO]A:502 |
1 |
1 |
184 |
f |
[EDO]A:501 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|