## |
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 |
205 |
55 |
13061 |
◊ |
C |
x,y,z |
1_555 |
208 |
54 |
13328 |
1900.1 |
-12.2 |
0.812 |
20 |
3 |
0 |
1.000 |
2 |
|
B |
193 |
53 |
13316 |
◊ |
A |
x,y,z |
1_555 |
198 |
51 |
13138 |
1765.1 |
-10.5 |
0.780 |
26 |
4 |
0 |
1.000 |
Average: |
1832.6 |
-11.3 |
0.796 |
23 |
4 |
0 |
1.000 |
2 |
3 |
|
F |
73 |
18 |
6103 |
◊ |
C |
x,y,z |
1_555 |
67 |
21 |
13328 |
606.9 |
-5.3 |
0.380 |
3 |
0 |
0 |
0.052 |
4 |
|
E |
71 |
18 |
5958 |
◊ |
A |
x,y,z |
1_555 |
66 |
20 |
13138 |
598.6 |
-5.1 |
0.476 |
4 |
0 |
0 |
0.052 |
Average: |
602.8 |
-5.2 |
0.428 |
4 |
0 |
0 |
0.052 |
3 |
5 |
|
F |
64 |
16 |
6103 |
◊ |
D |
-x+3,y-1/2,-z-1 |
2_844 |
55 |
19 |
13061 |
538.3 |
-5.7 |
0.382 |
10 |
0 |
0 |
0.000 |
6 |
|
E |
62 |
17 |
5958 |
◊ |
B |
-x+2,y-1/2,-z-2 |
2_743 |
54 |
20 |
13316 |
498.0 |
-7.1 |
0.228 |
6 |
0 |
0 |
0.000 |
Average: |
518.2 |
-6.4 |
0.305 |
8 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
45 |
14 |
13316 |
◊ |
F |
x-1,y,z-1 |
1_454 |
40 |
10 |
6103 |
375.9 |
1.2 |
0.841 |
8 |
2 |
0 |
0.000 |
5 |
8 |
|
[CHO]D:600 |
22 |
1 |
642 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
13328 |
316.2 |
3.3 |
0.513 |
3 |
0 |
0 |
0.000 |
9 |
|
[CHO]A:601 |
22 |
1 |
640 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
13316 |
309.2 |
2.7 |
0.455 |
2 |
0 |
0 |
0.000 |
10 |
|
[CHO]C:601 |
21 |
1 |
637 |
◊ |
D |
x,y,z |
1_555 |
38 |
14 |
13061 |
278.1 |
2.7 |
0.495 |
1 |
0 |
0 |
0.000 |
11 |
|
[CHO]B:600 |
22 |
1 |
642 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
13138 |
277.8 |
2.1 |
0.383 |
1 |
0 |
0 |
0.000 |
Average: |
295.4 |
2.7 |
0.461 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
31 |
11 |
13061 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
13138 |
287.9 |
-4.0 |
0.261 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
E |
28 |
8 |
5958 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
10 |
13328 |
227.3 |
0.6 |
0.782 |
4 |
0 |
0 |
0.000 |
8 |
14 |
|
[CHO]B:600 |
17 |
1 |
642 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
13316 |
225.4 |
0.5 |
0.313 |
3 |
0 |
0 |
0.171 |
15 |
|
[CHO]C:601 |
17 |
1 |
637 |
f |
C |
x,y,z |
1_555 |
29 |
11 |
13328 |
221.8 |
0.5 |
0.317 |
3 |
0 |
0 |
0.171 |
16 |
|
[CHO]A:601 |
17 |
1 |
640 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
13138 |
221.0 |
0.3 |
0.313 |
3 |
0 |
0 |
0.171 |
17 |
|
[CHO]D:600 |
17 |
1 |
642 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
13061 |
218.9 |
0.3 |
0.323 |
3 |
0 |
0 |
0.171 |
Average: |
221.8 |
0.4 |
0.316 |
3 |
0 |
0 |
0.171 |
9 |
18 |
|
B |
29 |
13 |
13316 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
11 |
13328 |
221.8 |
-2.4 |
0.501 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
D |
16 |
6 |
13061 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
13316 |
166.1 |
-2.9 |
0.257 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[PGE]F:202 |
10 |
1 |
333 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
6103 |
132.8 |
3.8 |
0.215 |
4 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]D:602 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
13061 |
120.3 |
4.9 |
0.593 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:602 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
13328 |
119.5 |
3.3 |
0.498 |
2 |
0 |
0 |
0.000 |
Average: |
119.9 |
4.1 |
0.546 |
2 |
0 |
0 |
0.000 |
13 |
23 |
|
[EDO]B:603 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
13316 |
119.9 |
4.9 |
0.584 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
[EDO]A:603 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
13138 |
116.6 |
5.0 |
0.592 |
3 |
0 |
0 |
0.000 |
15 |
25 |
|
[EDO]B:602 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13316 |
113.7 |
3.4 |
0.494 |
3 |
0 |
0 |
0.000 |
16 |
26 |
|
[EDO]A:602 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
13138 |
110.4 |
3.3 |
0.501 |
4 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]D:603 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
13061 |
110.0 |
3.1 |
0.502 |
4 |
0 |
0 |
0.000 |
28 |
|
[EDO]C:603 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
13328 |
107.6 |
3.1 |
0.494 |
4 |
0 |
0 |
0.000 |
Average: |
108.8 |
3.1 |
0.498 |
4 |
0 |
0 |
0.000 |
18 |
29 |
|
[EDO]C:604 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
13328 |
107.7 |
3.8 |
0.526 |
4 |
0 |
0 |
0.000 |
19 |
30 |
|
[EDO]A:604 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
13138 |
107.2 |
3.7 |
0.533 |
4 |
0 |
0 |
0.000 |
20 |
31 |
|
[PEG]E:202 |
7 |
1 |
259 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
5958 |
105.7 |
1.7 |
0.227 |
1 |
0 |
0 |
0.000 |
21 |
32 |
|
[EDO]B:604 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
13316 |
105.7 |
3.5 |
0.517 |
4 |
0 |
0 |
0.000 |
22 |
33 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13316 |
91.9 |
2.0 |
0.415 |
3 |
0 |
0 |
0.000 |
23 |
34 |
|
[EDO]A:605 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13138 |
91.5 |
1.9 |
0.433 |
3 |
0 |
0 |
0.000 |
24 |
35 |
|
[EDO]E:201 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
5958 |
83.7 |
2.4 |
0.297 |
6 |
0 |
0 |
0.004 |
25 |
36 |
|
[EDO]F:201 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
6103 |
83.1 |
2.3 |
0.280 |
6 |
0 |
0 |
0.005 |
26 |
37 |
|
[NA]D:601 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
13061 |
70.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.794 |
38 |
|
[NA]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13316 |
69.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.794 |
Average: |
69.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.794 |
27 |
39 |
|
[EDO]F:201 |
4 |
1 |
184 |
◊ |
D |
-x+3,y-1/2,-z-1 |
2_844 |
10 |
4 |
13061 |
67.2 |
1.3 |
0.221 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[EDO]E:201 |
4 |
1 |
184 |
◊ |
B |
-x+2,y-1/2,-z-2 |
2_743 |
10 |
4 |
13316 |
66.6 |
1.4 |
0.214 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[EDO]A:605 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13316 |
53.6 |
1.2 |
0.231 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
[NA]C:605 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
6103 |
52.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.115 |
43 |
|
[NA]A:606 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
5958 |
51.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
51.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.115 |
31 |
44 |
|
[EDO]B:605 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13138 |
50.9 |
1.3 |
0.236 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[NA]A:606 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13138 |
43.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.035 |
46 |
|
[NA]C:605 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13328 |
41.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
42.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.035 |
33 |
47 |
|
E |
6 |
3 |
5958 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
13061 |
42.9 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
B |
4 |
2 |
13316 |
f |
[PGE]F:202 |
x-1,y,z-1 |
1_454 |
1 |
1 |
333 |
14.9 |
0.7 |
0.556 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
B |
3 |
2 |
13316 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
13328 |
7.9 |
-0.3 |
0.328 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[NA]D:601 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13328 |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.042 |
51 |
|
[NA]B:601 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13138 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.042 |
37 |
52 |
|
[EDO]A:604 |
1 |
1 |
183 |
f |
[CHO]B:600 |
x,y,z |
1_555 |
1 |
1 |
642 |
1.8 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[EDO]B:604 |
1 |
1 |
183 |
f |
[CHO]A:601 |
x,y,z |
1_555 |
1 |
1 |
640 |
1.3 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
|