## |
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 |
106 |
22 |
4700 |
◊ |
A |
x,y,z |
1_555 |
109 |
25 |
5067 |
973.9 |
-14.9 |
0.253 |
5 |
2 |
0 |
1.000 |
2 |
|
D |
105 |
23 |
4696 |
◊ |
C |
x,y,z |
1_555 |
102 |
21 |
4558 |
921.1 |
-15.4 |
0.408 |
4 |
0 |
0 |
1.000 |
Average: |
947.5 |
-15.2 |
0.330 |
5 |
1 |
0 |
1.000 |
2 |
3 |
|
D |
51 |
18 |
4696 |
◊ |
A |
x,y,z |
1_555 |
60 |
19 |
5067 |
567.7 |
-10.3 |
0.190 |
1 |
2 |
0 |
1.000 |
3 |
4 |
|
B |
57 |
15 |
4700 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
53 |
13 |
4696 |
546.2 |
0.2 |
0.920 |
5 |
10 |
0 |
0.000 |
4 |
5 |
|
D |
27 |
9 |
4696 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
4700 |
266.2 |
-5.2 |
0.342 |
0 |
0 |
0 |
0.000 |
6 |
|
C |
30 |
8 |
4558 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
5067 |
256.3 |
-3.6 |
0.384 |
2 |
0 |
0 |
0.000 |
Average: |
261.2 |
-4.4 |
0.363 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
27 |
10 |
4558 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
4700 |
263.4 |
-4.7 |
0.333 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
29 |
7 |
4700 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
26 |
7 |
5067 |
228.1 |
-2.6 |
0.528 |
0 |
2 |
0 |
0.000 |
7 |
9 |
|
C |
26 |
5 |
4558 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
23 |
8 |
5067 |
203.1 |
-0.9 |
0.698 |
1 |
1 |
0 |
0.000 |
8 |
10 |
|
C |
10 |
4 |
4558 |
x |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
16 |
5 |
4558 |
120.3 |
-1.2 |
0.571 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
19 |
4 |
5067 |
◊ |
D |
-x+3/2,-y+2,z-1/2 |
2_674 |
12 |
4 |
4696 |
105.6 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[DIO]B:190 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
5067 |
94.6 |
2.2 |
0.083 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[DIO]D:188 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
4558 |
94.1 |
2.4 |
0.099 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[DIO]C:187 |
6 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
4696 |
92.6 |
2.7 |
0.104 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[DIO]C:181 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
4558 |
86.7 |
2.8 |
0.258 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[DIO]C:187 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
4558 |
85.2 |
2.5 |
0.106 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[DIO]D:189 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
4696 |
84.7 |
2.3 |
0.367 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[DIO]B:190 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
4700 |
82.6 |
2.7 |
0.104 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
B |
8 |
3 |
4700 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
9 |
3 |
5067 |
82.4 |
2.1 |
0.912 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
C |
12 |
4 |
4558 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
3 |
4700 |
82.0 |
2.6 |
0.947 |
0 |
2 |
0 |
0.000 |
19 |
21 |
|
[DIO]B:184 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
4700 |
81.5 |
2.2 |
0.131 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[DIO]B:184 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
4558 |
81.5 |
3.3 |
0.117 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[DIO]D:188 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
4696 |
81.2 |
2.6 |
0.171 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[DIO]C:183 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
4558 |
74.7 |
1.7 |
0.130 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[DIO]C:182 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
4558 |
71.6 |
1.6 |
0.088 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[DIO]B:185 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
4700 |
68.7 |
1.4 |
0.084 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[DIO]C:186 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
4696 |
65.9 |
1.3 |
0.159 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[DIO]D:189 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
5067 |
65.9 |
1.8 |
0.087 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[DIO]C:186 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
4558 |
64.5 |
1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
A |
6 |
1 |
5067 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
3 |
5067 |
62.3 |
0.2 |
0.621 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
B |
11 |
4 |
4700 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
4 |
4558 |
60.9 |
1.1 |
0.868 |
2 |
2 |
0 |
0.000 |
30 |
32 |
|
[DIO]B:185 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
5067 |
59.6 |
1.0 |
0.076 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[DIO]C:183 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
4700 |
59.5 |
1.6 |
0.028 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
C |
8 |
2 |
4558 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
9 |
2 |
5067 |
56.7 |
-0.5 |
0.590 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
4 |
1 |
4700 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
2 |
4696 |
55.0 |
-0.1 |
0.476 |
1 |
0 |
0 |
0.000 |
34 |
36 |
|
[DIO]C:182 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
4700 |
47.3 |
0.8 |
0.025 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[DIO]C:181 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
5067 |
47.0 |
1.1 |
0.063 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[CD]C:172 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4696 |
38.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[CD]C:172 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
4558 |
28.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[CD]A:171 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5067 |
27.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[CD]A:171 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4700 |
27.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
C |
10 |
4 |
4558 |
f |
[CD]A:171 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
112 |
37.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.318 |
38 |
43 |
|
[DIO]C:186 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5067 |
33.2 |
0.6 |
0.075 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
B |
7 |
3 |
4700 |
f |
[CD]C:172 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
112 |
31.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.157 |
40 |
45 |
|
[DIO]C:183 |
5 |
1 |
219 |
f |
[DIO]C:182 |
x,y,z |
1_555 |
5 |
1 |
220 |
30.7 |
1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[DIO]B:185 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4696 |
30.3 |
0.2 |
0.043 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[DIO]C:186 |
6 |
1 |
216 |
◊ |
[DIO]B:185 |
x,y,z |
1_555 |
2 |
1 |
217 |
29.3 |
1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[DIO]C:183 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
5067 |
27.5 |
0.7 |
0.073 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[DIO]C:182 |
5 |
1 |
220 |
◊ |
[DIO]C:181 |
x,y,z |
1_555 |
3 |
1 |
218 |
26.5 |
1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[DIO]D:189 |
3 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4558 |
26.5 |
0.6 |
0.082 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[DIO]C:181 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
4700 |
25.8 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[DIO]B:185 |
3 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
4558 |
20.2 |
0.1 |
0.128 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[DIO]C:186 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
4700 |
20.2 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[DIO]C:182 |
2 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
5067 |
16.7 |
0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[DIO]C:182 |
3 |
1 |
220 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
5067 |
13.1 |
0.5 |
0.860 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
D |
1 |
1 |
4696 |
◊ |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
2 |
2 |
5067 |
7.8 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[DIO]D:189 |
3 |
1 |
217 |
f |
[DIO]C:181 |
x,y,z |
1_555 |
1 |
1 |
218 |
7.7 |
0.4 |
0.577 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[DIO]B:184 |
2 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
4696 |
5.9 |
0.3 |
0.913 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
C |
1 |
1 |
4558 |
◊ |
D |
-x+1/2,-y+2,z-1/2 |
2_574 |
2 |
1 |
4696 |
4.8 |
-0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
B |
1 |
1 |
4700 |
f |
[DIO]C:187 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
217 |
2.5 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
A |
1 |
1 |
5067 |
x |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
5067 |
0.9 |
0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
|