| ## |
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 |
59 |
15 |
6803 |
◊ |
B |
x,y,z |
1_555 |
69 |
19 |
6890 |
586.8 |
-6.7 |
0.224 |
6 |
4 |
0 |
0.313 |
2 |
|
G |
62 |
17 |
6722 |
◊ |
E |
x,y,z |
1_555 |
63 |
17 |
6846 |
580.9 |
-7.6 |
0.166 |
6 |
4 |
0 |
0.313 |
3 |
|
H |
61 |
15 |
6743 |
◊ |
F |
x,y,z |
1_555 |
66 |
18 |
6806 |
577.4 |
-6.7 |
0.239 |
6 |
3 |
0 |
0.313 |
4 |
|
D |
58 |
15 |
6895 |
◊ |
A |
x,y,z |
1_555 |
61 |
16 |
6848 |
558.8 |
-7.1 |
0.191 |
5 |
4 |
0 |
0.313 |
| Average: |
576.0 |
-7.0 |
0.205 |
6 |
4 |
0 |
0.313 |
| 2 |
5 |
|
F |
39 |
12 |
6806 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
45 |
12 |
6743 |
399.1 |
-3.4 |
0.298 |
2 |
0 |
0 |
0.000 |
6 |
|
C |
42 |
12 |
6803 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
35 |
12 |
6890 |
338.1 |
-3.9 |
0.249 |
1 |
0 |
0 |
0.000 |
| Average: |
368.6 |
-3.7 |
0.273 |
2 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
41 |
12 |
6895 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
13 |
6890 |
389.0 |
-1.9 |
0.472 |
4 |
2 |
0 |
0.000 |
8 |
|
F |
41 |
13 |
6806 |
◊ |
G |
x,y-1,z |
1_545 |
41 |
13 |
6722 |
384.3 |
-2.1 |
0.451 |
3 |
2 |
0 |
0.000 |
| Average: |
386.7 |
-2.0 |
0.461 |
4 |
2 |
0 |
0.000 |
| 4 |
9 |
|
H |
41 |
10 |
6743 |
◊ |
B |
x,y,z-1 |
1_554 |
45 |
13 |
6890 |
376.5 |
0.5 |
0.671 |
2 |
1 |
0 |
0.000 |
| 5 |
10 |
|
A |
31 |
12 |
6848 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
7 |
6890 |
308.4 |
-2.8 |
0.346 |
3 |
0 |
0 |
0.000 |
11 |
|
F |
29 |
9 |
6806 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
38 |
11 |
6846 |
294.1 |
-2.2 |
0.400 |
1 |
0 |
0 |
0.000 |
| Average: |
301.2 |
-2.5 |
0.373 |
2 |
0 |
0 |
0.000 |
| 6 |
12 |
|
B |
34 |
12 |
6890 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
6848 |
304.2 |
-2.8 |
0.366 |
4 |
0 |
1 |
0.275 |
13 |
|
H |
24 |
7 |
6743 |
◊ |
G |
x,y,z |
1_555 |
26 |
8 |
6722 |
191.9 |
-4.5 |
0.147 |
2 |
0 |
1 |
0.275 |
14 |
|
F |
21 |
7 |
6806 |
◊ |
E |
x,y,z |
1_555 |
26 |
9 |
6846 |
191.8 |
-3.4 |
0.240 |
3 |
0 |
1 |
0.275 |
15 |
|
D |
23 |
7 |
6895 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
6803 |
180.0 |
-4.4 |
0.159 |
1 |
0 |
1 |
0.275 |
| Average: |
217.0 |
-3.8 |
0.228 |
3 |
0 |
1 |
0.275 |
| 7 |
16 |
|
E |
29 |
9 |
6846 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
26 |
7 |
6848 |
261.3 |
-1.0 |
0.506 |
2 |
1 |
0 |
0.000 |
| 8 |
17 |
|
E |
29 |
6 |
6846 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
30 |
8 |
6722 |
253.9 |
-0.7 |
0.519 |
1 |
3 |
0 |
0.000 |
18 |
|
D |
29 |
8 |
6895 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
6 |
6848 |
233.4 |
0.4 |
0.617 |
2 |
0 |
0 |
0.000 |
| Average: |
243.6 |
-0.1 |
0.568 |
2 |
2 |
0 |
0.000 |
| 9 |
19 |
|
H |
25 |
7 |
6743 |
x |
H |
-x+1,y-1/2,-z |
2_645 |
26 |
8 |
6743 |
250.5 |
-0.9 |
0.387 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
23 |
7 |
6803 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
6803 |
230.1 |
-1.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
240.3 |
-1.0 |
0.389 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
G |
28 |
13 |
6722 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
6848 |
232.8 |
0.2 |
0.607 |
2 |
3 |
0 |
0.000 |
| 11 |
22 |
|
C |
29 |
8 |
6803 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
23 |
7 |
6846 |
231.1 |
-0.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| 12 |
23 |
|
F |
17 |
7 |
6806 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
6 |
6890 |
177.1 |
-0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
F |
17 |
5 |
6806 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
4 |
6848 |
152.1 |
1.6 |
0.737 |
1 |
0 |
0 |
0.000 |
| 14 |
25 |
|
G |
18 |
7 |
6722 |
◊ |
F |
x,y,z |
1_555 |
20 |
8 |
6806 |
148.3 |
0.0 |
0.605 |
1 |
0 |
0 |
0.000 |
26 |
|
D |
17 |
8 |
6895 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
6890 |
143.3 |
1.2 |
0.731 |
0 |
2 |
0 |
0.000 |
27 |
|
C |
15 |
7 |
6803 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
6848 |
137.0 |
1.2 |
0.737 |
1 |
0 |
0 |
0.000 |
28 |
|
H |
9 |
5 |
6743 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
6846 |
64.0 |
1.5 |
0.766 |
0 |
0 |
0 |
0.000 |
| Average: |
123.1 |
1.0 |
0.710 |
1 |
1 |
0 |
0.000 |
| 15 |
29 |
|
E |
14 |
5 |
6846 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
15 |
7 |
6803 |
136.2 |
2.0 |
0.818 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[PEG]A:201 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
20 |
4 |
6848 |
103.8 |
1.7 |
0.304 |
0 |
0 |
0 |
0.000 |
| 17 |
31 |
|
[PEG]B:200 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
6890 |
95.8 |
0.6 |
0.164 |
3 |
0 |
0 |
0.011 |
| 18 |
32 |
|
[PEG]G:100 |
6 |
1 |
257 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
6806 |
95.7 |
2.9 |
0.390 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
F |
15 |
4 |
6806 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6803 |
92.8 |
0.5 |
0.663 |
0 |
1 |
0 |
0.000 |
| 20 |
34 |
|
[PEG]G:200 |
6 |
1 |
263 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
6846 |
92.4 |
0.6 |
0.167 |
2 |
0 |
0 |
0.005 |
| 21 |
35 |
|
[PEG]D:200 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
6890 |
86.2 |
1.7 |
0.237 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[PO4]C:101 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6803 |
79.3 |
-4.6 |
0.747 |
4 |
0 |
0 |
0.100 |
| 23 |
37 |
|
[PO4]H:100 |
5 |
1 |
193 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
6743 |
79.2 |
-5.2 |
0.560 |
4 |
0 |
0 |
0.105 |
| 24 |
38 |
|
[PO4]B:100 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
6890 |
72.7 |
-4.4 |
0.579 |
4 |
0 |
0 |
0.097 |
| 25 |
39 |
|
[PO4]F:100 |
5 |
1 |
193 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
6806 |
71.8 |
-4.3 |
0.603 |
3 |
0 |
0 |
0.100 |
| 26 |
40 |
|
[PO4]C:100 |
5 |
1 |
194 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
6803 |
71.8 |
-4.6 |
0.564 |
1 |
0 |
0 |
0.079 |
| 27 |
41 |
|
[PO4]C:100 |
5 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6848 |
70.1 |
-4.0 |
0.649 |
3 |
0 |
0 |
0.146 |
| 28 |
42 |
|
[PO4]E:100 |
5 |
1 |
192 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6846 |
70.0 |
-4.4 |
0.591 |
3 |
0 |
0 |
0.095 |
| 29 |
43 |
|
[PO4]F:100 |
5 |
1 |
193 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
6722 |
68.0 |
-4.4 |
0.490 |
2 |
0 |
0 |
0.080 |
| 30 |
44 |
|
[PO4]B:100 |
5 |
1 |
193 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6895 |
65.0 |
-4.0 |
0.621 |
2 |
0 |
0 |
0.076 |
| 31 |
45 |
|
[PO4]C:101 |
5 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6848 |
65.0 |
-4.4 |
0.510 |
1 |
0 |
0 |
0.075 |
| 32 |
46 |
|
[PO4]E:100 |
4 |
1 |
192 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
6743 |
61.9 |
-3.9 |
0.619 |
1 |
0 |
0 |
0.066 |
| 33 |
47 |
|
[PEG]D:200 |
7 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
6895 |
61.7 |
1.0 |
0.137 |
3 |
0 |
0 |
0.100 |
| 34 |
48 |
|
[PO4]H:100 |
5 |
1 |
193 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
6846 |
61.4 |
-4.0 |
0.526 |
2 |
0 |
0 |
0.073 |
| 35 |
49 |
|
[PEG]G:200 |
5 |
1 |
263 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
6806 |
58.7 |
1.4 |
0.267 |
1 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[PEG]B:200 |
5 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6848 |
53.9 |
1.8 |
0.319 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[PEG]G:100 |
7 |
1 |
257 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
6722 |
52.3 |
1.2 |
0.150 |
3 |
0 |
0 |
0.100 |
| 38 |
52 |
|
E |
3 |
1 |
6846 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
2 |
6895 |
51.6 |
-1.0 |
0.183 |
0 |
0 |
0 |
0.000 |
| 39 |
53 |
|
D |
4 |
2 |
6895 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
6890 |
47.8 |
-1.7 |
0.121 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
F |
4 |
2 |
6806 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6848 |
46.3 |
0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
C |
6 |
2 |
6803 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
2 |
6743 |
46.2 |
0.6 |
0.722 |
1 |
2 |
0 |
0.000 |
| 42 |
56 |
|
D |
7 |
5 |
6895 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
6803 |
43.3 |
0.7 |
0.703 |
0 |
0 |
0 |
0.000 |
57 |
|
H |
5 |
3 |
6743 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
6722 |
39.9 |
0.4 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
41.6 |
0.5 |
0.627 |
0 |
0 |
0 |
0.000 |
| 43 |
58 |
|
D |
4 |
2 |
6895 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
5 |
6722 |
41.1 |
1.6 |
0.816 |
0 |
0 |
0 |
0.000 |
| 44 |
59 |
|
[PEG]G:200 |
2 |
1 |
263 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6722 |
25.8 |
1.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| 45 |
60 |
|
[PEG]B:200 |
2 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6803 |
23.3 |
0.4 |
0.292 |
1 |
0 |
0 |
0.000 |
| 46 |
61 |
|
E |
5 |
3 |
6846 |
◊ |
H |
x,y-1,z |
1_545 |
4 |
3 |
6743 |
19.7 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
1 |
1 |
6803 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
6848 |
3.7 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
D |
2 |
1 |
6895 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
6895 |
16.6 |
0.3 |
0.569 |
0 |
0 |
0 |
0.000 |
| 48 |
64 |
|
H |
1 |
1 |
6743 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
6895 |
3.8 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
[PEG]G:100 |
1 |
1 |
257 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6743 |
1.1 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
|