## |
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 |
|
B |
281 |
84 |
28869 |
◊ |
A |
x,y,z |
1_555 |
262 |
78 |
27851 |
2449.8 |
-8.8 |
0.454 |
38 |
13 |
0 |
0.483 |
2 |
|
D |
277 |
84 |
28958 |
◊ |
C |
x,y,z |
1_555 |
264 |
80 |
27906 |
2408.1 |
-8.7 |
0.473 |
40 |
13 |
0 |
0.483 |
3 |
|
F |
264 |
80 |
28847 |
◊ |
E |
x,y,z |
1_555 |
253 |
74 |
28380 |
2334.3 |
-9.0 |
0.434 |
37 |
15 |
0 |
0.483 |
4 |
|
H |
264 |
82 |
28932 |
◊ |
G |
x,y,z |
1_555 |
258 |
76 |
27710 |
2320.9 |
-8.8 |
0.435 |
37 |
15 |
0 |
0.483 |
Average: |
2378.3 |
-8.8 |
0.449 |
38 |
14 |
0 |
0.483 |
2 |
5 |
|
B |
66 |
24 |
28869 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
4_456 |
67 |
23 |
27710 |
582.1 |
-4.8 |
0.215 |
4 |
0 |
0 |
0.000 |
6 |
|
E |
54 |
21 |
28380 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
62 |
21 |
28958 |
500.6 |
-4.4 |
0.206 |
2 |
0 |
0 |
0.000 |
Average: |
541.3 |
-4.6 |
0.210 |
3 |
0 |
0 |
0.000 |
3 |
7 |
|
H |
56 |
16 |
28932 |
◊ |
E |
x,y,z |
1_555 |
52 |
14 |
28380 |
559.7 |
-6.9 |
0.103 |
7 |
1 |
0 |
0.142 |
8 |
|
F |
55 |
15 |
28847 |
◊ |
G |
x,y,z |
1_555 |
50 |
15 |
27710 |
549.2 |
-7.1 |
0.085 |
7 |
0 |
0 |
0.142 |
9 |
|
D |
57 |
18 |
28958 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
27851 |
536.5 |
-6.9 |
0.093 |
6 |
0 |
0 |
0.142 |
10 |
|
B |
51 |
15 |
28869 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
27906 |
511.4 |
-7.0 |
0.085 |
6 |
0 |
0 |
0.142 |
Average: |
539.2 |
-7.0 |
0.091 |
7 |
0 |
0 |
0.142 |
4 |
11 |
|
E |
65 |
21 |
28380 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
62 |
16 |
27906 |
537.9 |
2.7 |
0.815 |
4 |
3 |
0 |
0.000 |
5 |
12 |
|
A |
46 |
18 |
27851 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
54 |
16 |
28932 |
518.1 |
-4.4 |
0.127 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
F |
47 |
11 |
28847 |
◊ |
H |
x-1/2,-y-1/2,-z+1 |
4_446 |
41 |
12 |
28932 |
421.4 |
3.2 |
0.815 |
6 |
5 |
0 |
0.000 |
7 |
14 |
|
G |
50 |
12 |
27710 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
27906 |
405.4 |
-3.4 |
0.295 |
2 |
0 |
0 |
0.000 |
15 |
|
E |
48 |
12 |
28380 |
◊ |
A |
x,y,z |
1_555 |
46 |
11 |
27851 |
374.2 |
-3.0 |
0.330 |
2 |
0 |
0 |
0.000 |
Average: |
389.8 |
-3.2 |
0.312 |
2 |
0 |
0 |
0.000 |
8 |
16 |
|
[FDP]G:7 |
19 |
1 |
465 |
f |
G |
x,y,z |
1_555 |
42 |
18 |
27710 |
298.7 |
-3.5 |
0.707 |
14 |
0 |
0 |
0.167 |
17 |
|
[FDP]E:5 |
19 |
1 |
466 |
f |
E |
x,y,z |
1_555 |
40 |
18 |
28380 |
296.0 |
-3.5 |
0.710 |
16 |
0 |
0 |
0.167 |
Average: |
297.4 |
-3.5 |
0.709 |
15 |
0 |
0 |
0.167 |
9 |
18 |
|
[FDP]C:3 |
19 |
1 |
459 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
27906 |
290.8 |
-2.4 |
0.721 |
14 |
0 |
0 |
0.146 |
19 |
|
[FDP]A:1 |
19 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
39 |
17 |
27851 |
290.5 |
-2.0 |
0.737 |
11 |
0 |
0 |
0.146 |
Average: |
290.6 |
-2.2 |
0.729 |
13 |
0 |
0 |
0.146 |
10 |
20 |
|
[FDP]H:8 |
20 |
1 |
464 |
f |
H |
x,y,z |
1_555 |
36 |
15 |
28932 |
279.3 |
-4.6 |
0.592 |
16 |
0 |
0 |
0.187 |
21 |
|
[FDP]D:4 |
19 |
1 |
460 |
f |
D |
x,y,z |
1_555 |
39 |
15 |
28958 |
278.1 |
-2.9 |
0.721 |
14 |
0 |
0 |
0.187 |
22 |
|
[FDP]B:2 |
19 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
38 |
15 |
28869 |
277.1 |
-3.5 |
0.714 |
14 |
0 |
0 |
0.187 |
Average: |
278.2 |
-3.7 |
0.676 |
15 |
0 |
0 |
0.187 |
11 |
23 |
|
[FDP]F:6 |
19 |
1 |
442 |
f |
F |
x,y,z |
1_555 |
39 |
15 |
28847 |
274.9 |
-6.1 |
0.455 |
17 |
0 |
0 |
0.217 |
12 |
24 |
|
H |
33 |
11 |
28932 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
34 |
9 |
27906 |
268.1 |
-3.1 |
0.247 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
[F6P]C:988 |
16 |
1 |
391 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
27906 |
218.2 |
1.2 |
0.774 |
6 |
0 |
0 |
0.026 |
14 |
26 |
|
[F6P]F:984 |
15 |
1 |
390 |
◊ |
F |
x,y,z |
1_555 |
35 |
9 |
28847 |
211.8 |
0.8 |
0.732 |
5 |
0 |
0 |
0.024 |
27 |
|
[F6P]D:982 |
15 |
1 |
391 |
◊ |
D |
x,y,z |
1_555 |
35 |
10 |
28958 |
211.2 |
1.2 |
0.774 |
6 |
0 |
0 |
0.024 |
28 |
|
[F6P]B:980 |
14 |
1 |
392 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
28869 |
209.1 |
1.4 |
0.784 |
6 |
0 |
0 |
0.024 |
Average: |
210.7 |
1.1 |
0.763 |
6 |
0 |
0 |
0.024 |
15 |
29 |
|
[F6P]A:988 |
14 |
1 |
388 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
27851 |
209.5 |
1.0 |
0.740 |
6 |
0 |
0 |
0.028 |
30 |
|
[F6P]E:988 |
15 |
1 |
391 |
◊ |
E |
x,y,z |
1_555 |
36 |
11 |
28380 |
208.0 |
1.3 |
0.787 |
7 |
0 |
0 |
0.028 |
Average: |
208.8 |
1.2 |
0.764 |
7 |
0 |
0 |
0.028 |
16 |
31 |
|
[F6P]H:986 |
14 |
1 |
388 |
◊ |
H |
x,y,z |
1_555 |
33 |
10 |
28932 |
206.4 |
1.1 |
0.762 |
5 |
0 |
0 |
0.018 |
17 |
32 |
|
[F6P]G:988 |
15 |
1 |
387 |
◊ |
G |
x,y,z |
1_555 |
34 |
11 |
27710 |
204.7 |
0.9 |
0.717 |
7 |
0 |
0 |
0.035 |
18 |
33 |
|
E |
27 |
10 |
28380 |
◊ |
D |
-x,y-1/2,-z+3/2 |
3_546 |
22 |
7 |
28958 |
197.2 |
-0.9 |
0.494 |
2 |
1 |
0 |
0.000 |
19 |
34 |
|
F |
28 |
11 |
28847 |
◊ |
G |
x-1/2,-y-1/2,-z+1 |
4_446 |
23 |
9 |
27710 |
189.6 |
0.4 |
0.667 |
0 |
1 |
0 |
0.000 |
20 |
35 |
|
H |
17 |
6 |
28932 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
9 |
28958 |
173.3 |
-0.8 |
0.494 |
1 |
0 |
0 |
0.000 |
21 |
36 |
|
B |
22 |
8 |
28869 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
8 |
27906 |
152.5 |
2.7 |
0.883 |
1 |
0 |
0 |
0.000 |
37 |
|
A |
20 |
8 |
27851 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
8 |
28958 |
146.9 |
3.0 |
0.897 |
1 |
0 |
0 |
0.000 |
Average: |
149.7 |
2.8 |
0.890 |
1 |
0 |
0 |
0.000 |
22 |
38 |
|
[FDP]B:2 |
5 |
1 |
460 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
27851 |
70.8 |
0.1 |
0.710 |
4 |
0 |
0 |
0.043 |
39 |
|
[FDP]D:4 |
5 |
1 |
460 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
27906 |
67.7 |
0.0 |
0.702 |
4 |
0 |
0 |
0.043 |
40 |
|
[FDP]F:6 |
6 |
1 |
442 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
28380 |
62.9 |
0.3 |
0.739 |
2 |
0 |
0 |
0.043 |
41 |
|
[FDP]H:8 |
4 |
1 |
464 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
27710 |
51.2 |
-1.3 |
0.521 |
3 |
0 |
0 |
0.043 |
Average: |
63.1 |
-0.2 |
0.668 |
3 |
0 |
0 |
0.043 |
23 |
42 |
|
E |
7 |
3 |
28380 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
28869 |
65.0 |
1.0 |
0.828 |
2 |
0 |
0 |
0.000 |
43 |
|
D |
8 |
2 |
28958 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
27710 |
60.6 |
1.1 |
0.837 |
2 |
0 |
0 |
0.000 |
Average: |
62.8 |
1.1 |
0.832 |
2 |
0 |
0 |
0.000 |
24 |
44 |
|
[F6P]A:988 |
4 |
1 |
388 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
28869 |
63.2 |
-2.2 |
0.306 |
4 |
0 |
0 |
0.071 |
45 |
|
[F6P]E:988 |
4 |
1 |
391 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
28847 |
63.0 |
-2.2 |
0.369 |
4 |
0 |
0 |
0.071 |
46 |
|
[F6P]G:988 |
4 |
1 |
387 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
28932 |
62.4 |
-2.2 |
0.303 |
5 |
0 |
0 |
0.071 |
Average: |
62.9 |
-2.2 |
0.326 |
4 |
0 |
0 |
0.071 |
25 |
47 |
|
[FDP]A:1 |
4 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
28869 |
62.5 |
-0.1 |
0.625 |
2 |
0 |
0 |
0.018 |
48 |
|
[FDP]C:3 |
4 |
1 |
459 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
28958 |
57.5 |
0.0 |
0.619 |
2 |
0 |
0 |
0.018 |
Average: |
60.0 |
-0.1 |
0.622 |
2 |
0 |
0 |
0.018 |
26 |
49 |
|
[F6P]C:988 |
4 |
1 |
391 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
28958 |
61.3 |
-2.1 |
0.353 |
5 |
0 |
0 |
0.073 |
27 |
50 |
|
[F6P]F:984 |
4 |
1 |
390 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
28380 |
60.6 |
-2.2 |
0.380 |
3 |
0 |
0 |
0.057 |
51 |
|
[F6P]H:986 |
4 |
1 |
388 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
27710 |
58.8 |
-1.9 |
0.393 |
3 |
0 |
0 |
0.057 |
Average: |
59.7 |
-2.1 |
0.387 |
3 |
0 |
0 |
0.057 |
28 |
52 |
|
[F6P]B:980 |
4 |
1 |
392 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
27851 |
60.5 |
-2.0 |
0.371 |
3 |
0 |
0 |
0.059 |
53 |
|
[F6P]D:982 |
4 |
1 |
391 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
27906 |
56.9 |
-1.8 |
0.410 |
3 |
0 |
0 |
0.059 |
Average: |
58.7 |
-1.9 |
0.390 |
3 |
0 |
0 |
0.059 |
29 |
54 |
|
E |
7 |
3 |
28380 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
27851 |
55.8 |
0.6 |
0.776 |
1 |
1 |
0 |
0.000 |
55 |
|
C |
3 |
1 |
27906 |
◊ |
G |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
27710 |
39.6 |
0.8 |
0.866 |
0 |
0 |
0 |
0.000 |
Average: |
47.7 |
0.7 |
0.821 |
1 |
1 |
0 |
0.000 |
30 |
56 |
|
[FDP]E:5 |
4 |
1 |
466 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
28847 |
54.9 |
1.1 |
0.772 |
2 |
0 |
0 |
0.000 |
57 |
|
[FDP]G:7 |
4 |
1 |
465 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
28932 |
52.8 |
1.1 |
0.766 |
2 |
0 |
0 |
0.000 |
Average: |
53.9 |
1.1 |
0.769 |
2 |
0 |
0 |
0.000 |
31 |
58 |
|
B |
3 |
1 |
28869 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
28932 |
9.8 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
A |
2 |
2 |
27851 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
28869 |
8.6 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
F |
1 |
1 |
28847 |
◊ |
C |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
27906 |
0.2 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
|