## |
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 |
332 |
79 |
16906 |
◊ |
C |
x,y,z |
1_555 |
324 |
79 |
16793 |
3280.3 |
-44.9 |
0.004 |
20 |
10 |
0 |
0.818 |
2 |
|
B |
321 |
78 |
16920 |
◊ |
A |
x,y,z |
1_555 |
320 |
80 |
17047 |
3257.1 |
-44.8 |
0.003 |
24 |
9 |
0 |
0.818 |
Average: |
3268.7 |
-44.8 |
0.004 |
22 |
10 |
0 |
0.818 |
2 |
3 |
|
H |
83 |
12 |
2845 |
◊ |
C |
x,y,z |
1_555 |
95 |
31 |
16793 |
771.5 |
-9.9 |
0.505 |
20 |
0 |
0 |
0.202 |
4 |
|
F |
83 |
12 |
2839 |
◊ |
A |
x,y,z |
1_555 |
96 |
30 |
17047 |
769.5 |
-10.0 |
0.502 |
17 |
0 |
0 |
0.202 |
5 |
|
E |
81 |
12 |
2848 |
◊ |
B |
x,y,z |
1_555 |
96 |
31 |
16920 |
763.5 |
-9.9 |
0.495 |
17 |
0 |
0 |
0.202 |
6 |
|
G |
81 |
12 |
2849 |
◊ |
D |
x,y,z |
1_555 |
96 |
31 |
16906 |
763.0 |
-10.0 |
0.507 |
16 |
0 |
0 |
0.202 |
Average: |
766.9 |
-9.9 |
0.502 |
18 |
0 |
0 |
0.202 |
3 |
7 |
|
G |
75 |
9 |
2849 |
◊ |
C |
x,y,z |
1_555 |
88 |
28 |
16793 |
712.8 |
-9.1 |
0.511 |
15 |
0 |
0 |
0.165 |
8 |
|
H |
74 |
9 |
2845 |
◊ |
D |
x,y,z |
1_555 |
89 |
28 |
16906 |
712.4 |
-8.2 |
0.553 |
12 |
0 |
0 |
0.165 |
9 |
|
E |
71 |
9 |
2848 |
◊ |
A |
x,y,z |
1_555 |
91 |
28 |
17047 |
706.6 |
-7.5 |
0.554 |
13 |
0 |
0 |
0.165 |
10 |
|
F |
71 |
9 |
2839 |
◊ |
B |
x,y,z |
1_555 |
89 |
28 |
16920 |
702.8 |
-6.8 |
0.561 |
15 |
0 |
0 |
0.165 |
Average: |
708.7 |
-7.9 |
0.545 |
14 |
0 |
0 |
0.165 |
4 |
11 |
|
D |
66 |
25 |
16906 |
◊ |
B |
x,y,z |
1_555 |
69 |
24 |
16920 |
596.5 |
3.5 |
0.860 |
5 |
4 |
0 |
0.000 |
12 |
|
C |
66 |
24 |
16793 |
◊ |
A |
x,y,z |
1_555 |
69 |
25 |
17047 |
592.0 |
2.1 |
0.814 |
3 |
4 |
0 |
0.000 |
Average: |
594.2 |
2.8 |
0.837 |
4 |
4 |
0 |
0.000 |
5 |
13 |
|
J |
55 |
12 |
2771 |
◊ |
I |
x,y,z |
1_555 |
57 |
12 |
2755 |
556.1 |
-9.0 |
0.522 |
37 |
0 |
0 |
1.000 |
14 |
|
L |
54 |
12 |
2766 |
◊ |
K |
x,y,z |
1_555 |
54 |
12 |
2752 |
551.5 |
-8.6 |
0.524 |
36 |
0 |
0 |
1.000 |
Average: |
553.8 |
-8.8 |
0.523 |
37 |
0 |
0 |
1.000 |
6 |
15 |
|
F |
56 |
12 |
2839 |
◊ |
E |
x,y,z |
1_555 |
57 |
12 |
2848 |
526.9 |
-10.0 |
0.540 |
34 |
0 |
0 |
1.000 |
16 |
|
H |
55 |
12 |
2845 |
◊ |
G |
x,y,z |
1_555 |
55 |
12 |
2849 |
525.7 |
-9.9 |
0.535 |
34 |
0 |
0 |
1.000 |
Average: |
526.3 |
-9.9 |
0.538 |
34 |
0 |
0 |
1.000 |
7 |
17 |
|
C |
31 |
8 |
16793 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
34 |
10 |
16920 |
288.6 |
2.8 |
0.854 |
5 |
0 |
0 |
0.000 |
8 |
18 |
|
A |
12 |
4 |
17047 |
◊ |
D |
x-1,y,z-1 |
1_454 |
17 |
4 |
16906 |
156.5 |
0.0 |
0.632 |
3 |
0 |
0 |
0.000 |
9 |
19 |
|
L |
20 |
2 |
2766 |
◊ |
H |
x-1,y,z |
1_455 |
16 |
2 |
2845 |
139.5 |
1.9 |
0.798 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
14 |
2 |
2839 |
◊ |
J |
x-1,y,z |
1_455 |
20 |
2 |
2771 |
139.1 |
2.8 |
0.832 |
0 |
0 |
0 |
0.000 |
Average: |
139.3 |
2.4 |
0.815 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
I |
20 |
2 |
2755 |
◊ |
E |
x,y,z |
1_555 |
15 |
2 |
2848 |
139.4 |
1.6 |
0.779 |
0 |
0 |
0 |
0.000 |
22 |
|
K |
21 |
2 |
2752 |
◊ |
G |
x,y,z |
1_555 |
15 |
2 |
2849 |
138.9 |
2.6 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
139.1 |
2.1 |
0.797 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
E |
20 |
2 |
2848 |
◊ |
I |
x-1,y,z |
1_455 |
14 |
2 |
2755 |
137.8 |
1.9 |
0.793 |
0 |
0 |
0 |
0.000 |
24 |
|
K |
15 |
2 |
2752 |
◊ |
G |
x-1,y,z |
1_455 |
20 |
2 |
2849 |
136.0 |
1.7 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
136.9 |
1.8 |
0.784 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
J |
14 |
2 |
2771 |
◊ |
F |
x,y,z |
1_555 |
20 |
2 |
2839 |
137.4 |
1.9 |
0.788 |
0 |
0 |
0 |
0.000 |
26 |
|
L |
14 |
2 |
2766 |
◊ |
H |
x,y,z |
1_555 |
20 |
2 |
2845 |
133.7 |
1.8 |
0.787 |
0 |
0 |
0 |
0.000 |
Average: |
135.6 |
1.8 |
0.788 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
D |
15 |
4 |
16906 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
5 |
16920 |
112.8 |
0.8 |
0.734 |
1 |
0 |
0 |
0.000 |
14 |
28 |
|
[GOL]A:301 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
17047 |
105.9 |
-0.9 |
0.444 |
3 |
0 |
0 |
0.040 |
15 |
29 |
|
[GOL]C:302 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
16906 |
105.9 |
-1.0 |
0.503 |
4 |
0 |
0 |
0.045 |
16 |
30 |
|
[GOL]C:301 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
16793 |
103.9 |
-1.0 |
0.450 |
3 |
0 |
0 |
0.044 |
31 |
|
[GOL]B:301 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
16920 |
103.4 |
-0.9 |
0.422 |
4 |
0 |
0 |
0.044 |
Average: |
103.6 |
-0.9 |
0.436 |
4 |
0 |
0 |
0.044 |
17 |
32 |
|
A |
9 |
3 |
17047 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
10 |
5 |
16920 |
101.5 |
-0.9 |
0.425 |
1 |
0 |
0 |
0.000 |
18 |
33 |
|
I |
9 |
2 |
2755 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
16920 |
83.3 |
-0.8 |
0.554 |
1 |
0 |
0 |
0.000 |
34 |
|
K |
8 |
2 |
2752 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16906 |
76.4 |
-0.9 |
0.475 |
0 |
0 |
0 |
0.000 |
Average: |
79.9 |
-0.9 |
0.514 |
1 |
0 |
0 |
0.000 |
19 |
35 |
|
A |
9 |
4 |
17047 |
◊ |
C |
x-1,y,z-1 |
1_454 |
11 |
2 |
16793 |
81.8 |
1.0 |
0.775 |
1 |
0 |
0 |
0.000 |
20 |
36 |
|
L |
8 |
2 |
2766 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
4 |
16793 |
81.2 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
8 |
3 |
17047 |
◊ |
J |
x-1,y,z |
1_455 |
7 |
2 |
2771 |
70.9 |
-0.7 |
0.531 |
1 |
0 |
0 |
0.000 |
Average: |
76.1 |
-0.5 |
0.547 |
1 |
0 |
0 |
0.000 |
21 |
38 |
|
A |
9 |
3 |
17047 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
2 |
16906 |
77.4 |
0.6 |
0.742 |
1 |
0 |
0 |
0.000 |
22 |
39 |
|
[GOL]B:301 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
17047 |
73.1 |
0.7 |
0.687 |
2 |
0 |
0 |
0.007 |
40 |
|
[GOL]C:301 |
5 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
11 |
2 |
16906 |
70.9 |
0.8 |
0.773 |
3 |
0 |
0 |
0.007 |
Average: |
72.0 |
0.8 |
0.730 |
3 |
0 |
0 |
0.007 |
23 |
41 |
|
[GOL]A:301 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
16920 |
72.0 |
0.4 |
0.718 |
3 |
0 |
0 |
0.013 |
24 |
42 |
|
[GOL]C:302 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
16793 |
71.6 |
0.4 |
0.618 |
1 |
0 |
0 |
0.000 |
25 |
43 |
|
C |
5 |
2 |
16793 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
13 |
5 |
16920 |
67.9 |
-1.4 |
0.153 |
0 |
0 |
0 |
0.000 |
26 |
44 |
|
C |
8 |
3 |
16793 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
6 |
2 |
17047 |
67.1 |
0.6 |
0.576 |
1 |
0 |
0 |
0.000 |
27 |
45 |
|
J |
7 |
1 |
2771 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17047 |
66.2 |
-1.7 |
0.308 |
1 |
0 |
0 |
0.000 |
46 |
|
L |
7 |
1 |
2766 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
16793 |
63.5 |
-1.5 |
0.338 |
1 |
0 |
0 |
0.000 |
Average: |
64.8 |
-1.6 |
0.323 |
1 |
0 |
0 |
0.000 |
28 |
47 |
|
K |
7 |
1 |
2752 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
16906 |
63.8 |
-1.5 |
0.371 |
1 |
0 |
0 |
0.000 |
48 |
|
B |
6 |
3 |
16920 |
◊ |
I |
x-1,y,z |
1_455 |
7 |
1 |
2755 |
58.7 |
-1.5 |
0.349 |
1 |
0 |
0 |
0.000 |
Average: |
61.3 |
-1.5 |
0.360 |
1 |
0 |
0 |
0.000 |
29 |
49 |
|
B |
7 |
2 |
16920 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
4 |
16906 |
61.6 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
[MN]F:101 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
16920 |
49.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
51 |
|
[MN]E:101 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
17047 |
49.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
52 |
|
[MN]G:101 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
13 |
8 |
16793 |
48.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
53 |
|
[MN]H:101 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
11 |
7 |
16906 |
47.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
48.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
31 |
54 |
|
[MN]D:301 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16906 |
47.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
|
[MN]B:302 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16920 |
46.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
56 |
|
[MN]A:302 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17047 |
46.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
57 |
|
[MN]C:303 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16793 |
46.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
46.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
32 |
58 |
|
I |
5 |
1 |
2755 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
2839 |
38.9 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
59 |
|
K |
5 |
1 |
2752 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
2845 |
35.9 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
E |
5 |
1 |
2848 |
◊ |
J |
x-1,y,z |
1_455 |
5 |
1 |
2771 |
37.7 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
61 |
|
L |
5 |
1 |
2766 |
◊ |
G |
x-1,y,z |
1_455 |
5 |
1 |
2849 |
36.9 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
37.3 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
34 |
62 |
|
[MN]H:101 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2845 |
37.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.064 |
63 |
|
[MN]F:101 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
2839 |
36.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.064 |
64 |
|
[MN]E:101 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
2848 |
36.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.064 |
65 |
|
[MN]C:303 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
2849 |
33.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.064 |
66 |
|
[MN]A:302 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
2848 |
33.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.064 |
67 |
|
[MN]B:302 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
2839 |
33.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.064 |
68 |
|
[MN]D:301 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2845 |
33.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
35.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.064 |
35 |
69 |
|
[MN]G:101 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
2849 |
37.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
36 |
70 |
|
D |
2 |
2 |
16906 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
17047 |
25.3 |
0.5 |
0.825 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
F |
5 |
1 |
2839 |
◊ |
I |
x-1,y,z |
1_455 |
5 |
1 |
2755 |
24.2 |
-0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
72 |
|
K |
4 |
1 |
2752 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
1 |
2845 |
23.1 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
Average: |
23.6 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
38 |
73 |
|
J |
5 |
1 |
2771 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
2848 |
24.1 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
74 |
|
L |
4 |
1 |
2766 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
2849 |
21.3 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
22.7 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
39 |
75 |
|
[MN]F:101 |
1 |
1 |
123 |
◊ |
[MN]B:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
40 |
76 |
|
[MN]E:101 |
1 |
1 |
123 |
◊ |
[MN]A:302 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
41 |
77 |
|
[MN]G:101 |
1 |
1 |
123 |
◊ |
[MN]C:303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
42 |
78 |
|
[MN]H:101 |
1 |
1 |
123 |
◊ |
[MN]D:301 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
79 |
|
K |
3 |
2 |
2752 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
16920 |
15.0 |
-0.4 |
0.556 |
0 |
0 |
0 |
0.000 |
44 |
80 |
|
C |
1 |
1 |
16793 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16920 |
9.4 |
-0.3 |
0.239 |
0 |
0 |
0 |
0.000 |
81 |
|
D |
1 |
1 |
16906 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17047 |
3.8 |
-0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
Average: |
6.6 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.000 |
45 |
82 |
|
H |
3 |
1 |
2845 |
◊ |
B |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
16920 |
6.9 |
-0.4 |
0.346 |
0 |
0 |
0 |
0.000 |
46 |
83 |
|
C |
1 |
1 |
16793 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
17047 |
6.3 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
47 |
84 |
|
I |
1 |
1 |
2755 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
16906 |
1.9 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
48 |
85 |
|
C |
1 |
1 |
16793 |
◊ |
J |
-x+3,y-1/2,-z+1 |
2_846 |
1 |
1 |
2771 |
1.1 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.000 |
|