## |
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 |
|
F |
342 |
94 |
19247 |
◊ |
C |
x,y,z |
1_555 |
341 |
92 |
25124 |
3124.3 |
-15.2 |
0.364 |
40 |
7 |
0 |
0.584 |
2 |
|
E |
259 |
73 |
19089 |
◊ |
B |
x,y,z |
1_555 |
248 |
68 |
24828 |
2316.0 |
-16.9 |
0.166 |
26 |
2 |
0 |
0.584 |
Average: |
2720.1 |
-16.0 |
0.265 |
33 |
5 |
0 |
0.584 |
2 |
3 |
|
D |
244 |
61 |
19816 |
◊ |
A |
x,y,z |
1_555 |
249 |
66 |
25503 |
2256.9 |
-17.0 |
0.220 |
24 |
2 |
0 |
0.309 |
3 |
4 |
|
H |
205 |
52 |
6886 |
◊ |
G |
x,y,z |
1_555 |
249 |
61 |
14023 |
2231.2 |
-33.2 |
0.090 |
15 |
6 |
0 |
1.000 |
4 |
5 |
|
D |
232 |
66 |
19816 |
◊ |
C |
x,y,z |
1_555 |
229 |
65 |
25124 |
2155.2 |
-10.1 |
0.393 |
21 |
3 |
0 |
0.427 |
6 |
|
F |
188 |
56 |
19247 |
◊ |
B |
x,y,z |
1_555 |
190 |
52 |
24828 |
1771.4 |
-5.5 |
0.491 |
18 |
8 |
0 |
0.427 |
7 |
|
E |
192 |
55 |
19089 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
25503 |
1688.4 |
-12.4 |
0.241 |
12 |
2 |
0 |
0.427 |
Average: |
1871.7 |
-9.3 |
0.375 |
17 |
4 |
0 |
0.427 |
5 |
8 |
|
G |
84 |
29 |
14023 |
◊ |
C |
x,y,z |
1_555 |
87 |
27 |
25124 |
751.4 |
-9.7 |
0.173 |
3 |
0 |
0 |
0.166 |
6 |
9 |
|
G |
77 |
21 |
14023 |
◊ |
D |
x,y,z |
1_555 |
72 |
21 |
19816 |
715.8 |
-5.8 |
0.418 |
5 |
0 |
0 |
0.121 |
7 |
10 |
|
G |
65 |
20 |
14023 |
◊ |
F |
x,y,z |
1_555 |
70 |
21 |
19247 |
586.5 |
-4.4 |
0.287 |
4 |
0 |
0 |
0.081 |
8 |
11 |
|
A |
68 |
24 |
25503 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
64 |
20 |
25503 |
578.3 |
-3.8 |
0.401 |
5 |
0 |
0 |
0.000 |
9 |
12 |
|
G |
52 |
15 |
14023 |
◊ |
B |
x,y,z |
1_555 |
56 |
14 |
24828 |
512.7 |
-3.6 |
0.240 |
4 |
1 |
0 |
0.018 |
10 |
13 |
|
G |
41 |
11 |
14023 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
54 |
16 |
24828 |
435.8 |
-0.7 |
0.549 |
2 |
0 |
0 |
0.007 |
11 |
14 |
|
D |
43 |
11 |
19816 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
38 |
11 |
24828 |
389.7 |
-0.4 |
0.589 |
8 |
4 |
0 |
0.021 |
12 |
15 |
|
D |
39 |
11 |
19816 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
52 |
16 |
25503 |
385.6 |
-0.6 |
0.580 |
1 |
1 |
0 |
0.000 |
13 |
16 |
|
G |
35 |
14 |
14023 |
◊ |
A |
x,y,z |
1_555 |
40 |
16 |
25503 |
380.1 |
-0.7 |
0.329 |
2 |
2 |
0 |
0.011 |
14 |
17 |
|
[ADP]B:602 |
26 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
24828 |
336.7 |
-5.6 |
0.370 |
12 |
0 |
0 |
0.263 |
18 |
|
[ADP]A:703 |
26 |
1 |
549 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
25503 |
329.1 |
-5.0 |
0.439 |
12 |
0 |
0 |
0.263 |
19 |
|
[ADP]C:602 |
26 |
1 |
553 |
f |
C |
x,y,z |
1_555 |
48 |
18 |
25124 |
317.2 |
-4.9 |
0.436 |
10 |
0 |
0 |
0.263 |
Average: |
327.7 |
-5.1 |
0.415 |
11 |
0 |
0 |
0.263 |
15 |
20 |
|
C |
37 |
10 |
25124 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
39 |
11 |
19247 |
327.9 |
1.0 |
0.727 |
6 |
0 |
0 |
0.008 |
16 |
21 |
|
G |
25 |
8 |
14023 |
◊ |
E |
x,y,z |
1_555 |
34 |
11 |
19089 |
296.2 |
-1.2 |
0.543 |
3 |
0 |
0 |
0.015 |
17 |
22 |
|
F |
37 |
9 |
19247 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
19089 |
258.1 |
2.6 |
0.866 |
3 |
2 |
0 |
0.000 |
18 |
23 |
|
F |
21 |
9 |
19247 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
30 |
9 |
24828 |
209.9 |
-2.7 |
0.170 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
B |
18 |
6 |
24828 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
10 |
19089 |
179.9 |
-0.6 |
0.437 |
2 |
0 |
0 |
0.007 |
20 |
25 |
|
A |
16 |
5 |
25503 |
◊ |
H |
-x+1,y-1/2,-z-1/2 |
3_644 |
16 |
6 |
6886 |
163.5 |
0.4 |
0.697 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[GOL]A:707 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
25503 |
149.3 |
0.7 |
0.612 |
3 |
0 |
0 |
0.010 |
22 |
27 |
|
[GOL]B:604 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
24828 |
137.8 |
-0.5 |
0.541 |
2 |
0 |
0 |
0.033 |
23 |
28 |
|
D |
14 |
4 |
19816 |
◊ |
H |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
5 |
6886 |
137.1 |
0.9 |
0.770 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[GOL]A:708 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
25503 |
134.5 |
-0.9 |
0.545 |
7 |
0 |
0 |
0.058 |
25 |
30 |
|
[GOL]D:502 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
19816 |
126.3 |
-0.7 |
0.483 |
5 |
0 |
0 |
0.062 |
26 |
31 |
|
[ADP]C:602 |
16 |
1 |
553 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
19247 |
125.5 |
-2.1 |
0.657 |
4 |
0 |
0 |
0.067 |
27 |
32 |
|
[GOL]B:605 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
24828 |
122.6 |
0.2 |
0.606 |
3 |
0 |
0 |
0.027 |
28 |
33 |
|
C |
12 |
4 |
25124 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
24828 |
118.9 |
1.2 |
0.770 |
3 |
1 |
0 |
0.002 |
29 |
34 |
|
[GOL]A:709 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
25503 |
111.1 |
-0.2 |
0.529 |
3 |
0 |
0 |
0.022 |
30 |
35 |
|
[ADP]B:602 |
10 |
1 |
553 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
19089 |
108.0 |
-2.4 |
0.553 |
2 |
0 |
0 |
0.055 |
31 |
36 |
|
[GOL]B:606 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
24828 |
102.8 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.025 |
32 |
37 |
|
[GOL]B:603 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
24828 |
102.2 |
0.9 |
0.707 |
4 |
0 |
0 |
0.021 |
33 |
38 |
|
D |
14 |
5 |
19816 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
5 |
25124 |
95.6 |
0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
34 |
39 |
|
[GOL]D:501 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
25124 |
94.9 |
-0.6 |
0.490 |
2 |
0 |
0 |
0.032 |
35 |
40 |
|
[GOL]F:501 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
25124 |
94.4 |
0.0 |
0.571 |
2 |
0 |
0 |
0.018 |
36 |
41 |
|
[GOL]D:501 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
19816 |
93.3 |
-0.2 |
0.569 |
5 |
0 |
0 |
0.051 |
37 |
42 |
|
[GOL]A:704 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
25503 |
91.4 |
0.2 |
0.582 |
3 |
0 |
0 |
0.017 |
38 |
43 |
|
[GOL]A:706 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
25503 |
90.4 |
-0.8 |
0.493 |
1 |
0 |
0 |
0.018 |
39 |
44 |
|
[GOL]B:607 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
24828 |
89.2 |
-0.6 |
0.497 |
1 |
0 |
0 |
0.026 |
40 |
45 |
|
C |
14 |
4 |
25124 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
19089 |
88.8 |
-2.2 |
0.092 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[SO4]A:702 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
25503 |
76.9 |
-12.2 |
0.669 |
4 |
0 |
0 |
0.205 |
42 |
47 |
|
[GOL]B:606 |
5 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
19247 |
74.3 |
0.4 |
0.677 |
3 |
0 |
0 |
0.023 |
43 |
48 |
|
[GOL]A:705 |
6 |
1 |
213 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
19089 |
73.7 |
-0.8 |
0.526 |
0 |
0 |
0 |
0.100 |
44 |
49 |
|
D |
6 |
2 |
19816 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
19247 |
62.1 |
1.8 |
0.911 |
1 |
0 |
0 |
0.000 |
45 |
50 |
|
[GOL]F:501 |
3 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
19247 |
52.7 |
0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[GOL]F:501 |
4 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
14023 |
49.8 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.006 |
47 |
52 |
|
[GOL]D:502 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
25503 |
46.3 |
-0.7 |
0.321 |
0 |
0 |
0 |
0.008 |
48 |
53 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
24828 |
45.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.129 |
54 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
25124 |
42.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.129 |
55 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25503 |
37.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
42.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.129 |
49 |
56 |
|
[SO4]A:702 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
19816 |
44.0 |
-3.6 |
0.926 |
2 |
0 |
0 |
0.050 |
50 |
57 |
|
B |
2 |
1 |
24828 |
◊ |
[GOL]B:607 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
219 |
42.3 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
[GOL]A:705 |
5 |
1 |
213 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
25503 |
35.3 |
0.5 |
0.777 |
2 |
0 |
0 |
0.005 |
52 |
59 |
|
[GOL]A:704 |
4 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
19089 |
35.0 |
0.4 |
0.672 |
1 |
0 |
0 |
0.000 |
53 |
60 |
|
[ADP]A:703 |
4 |
1 |
549 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
19816 |
34.7 |
-1.7 |
0.466 |
1 |
0 |
0 |
0.023 |
54 |
61 |
|
[ADP]A:703 |
4 |
1 |
549 |
f |
[SO4]A:702 |
x,y,z |
1_555 |
4 |
1 |
185 |
33.4 |
-4.6 |
0.558 |
0 |
0 |
0 |
0.068 |
55 |
62 |
|
[GOL]A:705 |
3 |
1 |
213 |
◊ |
[GOL]A:704 |
x,y,z |
1_555 |
2 |
1 |
217 |
28.8 |
0.4 |
0.677 |
1 |
0 |
0 |
0.001 |
56 |
63 |
|
[ADP]C:602 |
4 |
1 |
553 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.099 |
64 |
|
[ADP]B:602 |
4 |
1 |
553 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.099 |
65 |
|
[ADP]A:703 |
4 |
1 |
549 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
27.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.099 |
57 |
66 |
|
C |
3 |
2 |
25124 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
14023 |
18.7 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
A |
2 |
1 |
25503 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
19247 |
17.7 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[SO4]A:702 |
4 |
1 |
185 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.054 |
60 |
69 |
|
[GOL]A:706 |
2 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19816 |
16.1 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
61 |
70 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
19089 |
15.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.018 |
71 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
19247 |
10.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
13.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.018 |
62 |
72 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19816 |
14.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
73 |
|
H |
3 |
3 |
6886 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
19247 |
11.8 |
-0.2 |
0.489 |
0 |
0 |
0 |
0.002 |
64 |
74 |
|
[GOL]A:707 |
1 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
19089 |
11.1 |
-0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
H |
1 |
1 |
6886 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
19089 |
10.2 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
C |
1 |
1 |
25124 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
6886 |
10.1 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
67 |
77 |
|
A |
3 |
1 |
25503 |
◊ |
G |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
14023 |
7.9 |
-0.3 |
0.375 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
B |
2 |
1 |
24828 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
24828 |
7.6 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
69 |
79 |
|
H |
1 |
1 |
6886 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
25124 |
7.2 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[GOL]A:708 |
2 |
1 |
218 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
71 |
81 |
|
[GOL]A:707 |
2 |
1 |
217 |
f |
[GOL]A:704 |
x,y,z |
1_555 |
1 |
1 |
217 |
3.0 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
[GOL]A:708 |
1 |
1 |
218 |
f |
[SO4]A:702 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.6 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.002 |
73 |
83 |
|
A |
1 |
1 |
25503 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
19089 |
0.9 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
|