## |
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 |
|
A |
45 |
13 |
7666 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
45 |
13 |
7666 |
427.5 |
-0.2 |
0.574 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
42 |
5 |
1554 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7666 |
386.3 |
-3.0 |
0.579 |
6 |
0 |
0 |
0.055 |
3 |
3 |
|
A |
40 |
12 |
7666 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
10 |
7666 |
323.9 |
2.4 |
0.709 |
2 |
6 |
0 |
0.000 |
4 |
4 |
|
b |
29 |
2 |
694 |
◊ |
A |
x,y,z |
1_555 |
39 |
15 |
7666 |
238.8 |
-5.6 |
0.274 |
6 |
0 |
0 |
0.086 |
5 |
5 |
|
B |
22 |
3 |
1032 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
7666 |
226.8 |
-5.3 |
0.299 |
4 |
0 |
0 |
0.083 |
6 |
6 |
|
B |
19 |
4 |
1032 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1554 |
177.4 |
-2.5 |
0.531 |
8 |
0 |
0 |
0.467 |
7 |
7 |
|
A |
17 |
4 |
7666 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
16 |
5 |
7666 |
143.8 |
-0.7 |
0.467 |
0 |
1 |
0 |
0.000 |
8 |
8 |
|
b |
16 |
2 |
694 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1554 |
122.2 |
0.5 |
0.722 |
6 |
0 |
0 |
0.017 |
9 |
9 |
|
[GOL]A:210 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
7666 |
106.6 |
-0.5 |
0.487 |
1 |
0 |
0 |
0.011 |
10 |
10 |
|
[EDO]A:213 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7666 |
102.6 |
3.0 |
0.421 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[GOL]A:211 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7666 |
97.7 |
0.6 |
0.716 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7666 |
97.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.065 |
13 |
13 |
|
C |
13 |
1 |
1554 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1554 |
92.1 |
1.8 |
0.738 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:212 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7666 |
90.9 |
3.0 |
0.467 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
b |
13 |
1 |
694 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1032 |
86.1 |
2.9 |
0.858 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]C:102 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
1554 |
85.4 |
2.5 |
0.286 |
2 |
0 |
0 |
0.000 |
17 |
17 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
7666 |
77.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.125 |
18 |
|
[RB]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
7666 |
76.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
77.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.125 |
18 |
19 |
|
[RB]B:101 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7666 |
75.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
19 |
20 |
|
[RB]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
1554 |
74.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.492 |
20 |
21 |
|
b |
15 |
1 |
694 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1032 |
69.2 |
-0.2 |
0.662 |
1 |
0 |
0 |
0.006 |
21 |
22 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7666 |
66.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.111 |
22 |
23 |
|
[GOL]A:209 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
1554 |
66.0 |
1.5 |
0.711 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
[GOL]A:209 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7666 |
63.4 |
-0.2 |
0.503 |
1 |
0 |
0 |
0.008 |
24 |
25 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7666 |
61.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.107 |
25 |
26 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
7666 |
61.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.103 |
26 |
27 |
|
[RB]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1032 |
58.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.157 |
27 |
28 |
|
[GOL]A:210 |
5 |
1 |
217 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7666 |
57.9 |
0.6 |
0.694 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[RB]B:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
1 |
1032 |
50.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
30 |
|
C |
7 |
1 |
1554 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
1032 |
46.8 |
0.6 |
0.640 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[RB]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
10 |
2 |
694 |
43.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.067 |
32 |
|
[RB]A:204 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
9 |
2 |
694 |
33.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
38.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.067 |
31 |
33 |
|
[EDO]C:102 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7666 |
43.5 |
1.1 |
0.661 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[GOL]A:211 |
5 |
1 |
215 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
7666 |
43.0 |
0.3 |
0.635 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
40.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.048 |
34 |
36 |
|
[EDO]C:103 |
4 |
1 |
185 |
f |
[RB]C:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
40.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.074 |
35 |
37 |
|
[EDO]C:103 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
1554 |
40.7 |
-0.5 |
0.465 |
0 |
0 |
0 |
0.036 |
36 |
38 |
|
[EDO]A:213 |
3 |
1 |
184 |
f |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
7666 |
36.2 |
0.8 |
0.899 |
2 |
0 |
0 |
0.000 |
37 |
39 |
|
b |
6 |
2 |
694 |
◊ |
[EDO]C:103 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
32.7 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
A |
4 |
1 |
7666 |
◊ |
[RB]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
29.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[RB]B:101 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
694 |
29.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
40 |
42 |
|
[EDO]C:103 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
1032 |
28.7 |
1.3 |
0.848 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[GOL]A:209 |
2 |
1 |
220 |
◊ |
b |
x,y,z |
1_555 |
7 |
2 |
694 |
28.2 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[GOL]A:211 |
3 |
1 |
215 |
f |
[GOL]A:210 |
x,y,z |
1_555 |
3 |
1 |
217 |
27.9 |
0.5 |
0.748 |
2 |
0 |
0 |
0.005 |
43 |
45 |
|
[GOL]A:211 |
3 |
1 |
215 |
f |
[CL]A:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.037 |
44 |
46 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7666 |
25.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.037 |
45 |
47 |
|
A |
5 |
1 |
7666 |
◊ |
[EDO]C:103 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
25.7 |
0.4 |
0.773 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7666 |
25.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
47 |
49 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7666 |
24.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[RB]B:101 |
1 |
1 |
216 |
f |
[RB]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.029 |
49 |
51 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
694 |
19.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
52 |
|
C |
1 |
1 |
1554 |
◊ |
[EDO]C:103 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
18.3 |
0.8 |
0.895 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
694 |
16.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.025 |
52 |
54 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1032 |
16.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
53 |
55 |
|
b |
3 |
1 |
694 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1554 |
15.5 |
-0.9 |
0.411 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.026 |
55 |
57 |
|
[RB]A:203 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.024 |
56 |
58 |
|
A |
4 |
2 |
7666 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1032 |
12.9 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[RB]B:101 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
58 |
60 |
|
[RB]B:101 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.015 |
59 |
61 |
|
C |
1 |
1 |
1554 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7666 |
7.8 |
0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
61 |
63 |
|
[RB]B:101 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
62 |
64 |
|
b |
2 |
1 |
694 |
◊ |
[RB]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
3.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[GOL]A:209 |
1 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1032 |
3.0 |
-0.0 |
0.389 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[EDO]C:103 |
1 |
1 |
185 |
f |
[EDO]C:102 |
x,y,z |
1_555 |
2 |
1 |
185 |
1.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|