## |
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 |
|
E |
149 |
37 |
20183 |
◊ |
C |
x,y,z |
1_555 |
146 |
37 |
20202 |
1377.0 |
-12.2 |
0.191 |
3 |
6 |
0 |
0.046 |
2 |
|
G |
147 |
36 |
20155 |
◊ |
A |
x,y,z |
1_555 |
146 |
36 |
20164 |
1370.1 |
-11.9 |
0.203 |
2 |
5 |
0 |
0.046 |
Average: |
1373.5 |
-12.0 |
0.197 |
3 |
6 |
0 |
0.046 |
2 |
3 |
|
[HEC]G:1483 |
43 |
1 |
821 |
cf |
G |
x,y,z |
1_555 |
78 |
28 |
20155 |
591.6 |
-24.4 |
0.050 |
5 |
0 |
0 |
0.175 |
4 |
|
[HEC]E:1483 |
43 |
1 |
818 |
cf |
E |
x,y,z |
1_555 |
81 |
28 |
20183 |
591.5 |
-25.1 |
0.036 |
5 |
0 |
0 |
0.175 |
5 |
|
[HEC]C:1483 |
43 |
1 |
820 |
cf |
C |
x,y,z |
1_555 |
76 |
28 |
20202 |
590.4 |
-25.1 |
0.028 |
6 |
0 |
0 |
0.175 |
6 |
|
[HEC]A:1483 |
43 |
1 |
818 |
cf |
A |
x,y,z |
1_555 |
78 |
28 |
20164 |
589.8 |
-25.0 |
0.033 |
5 |
0 |
0 |
0.175 |
Average: |
590.8 |
-24.9 |
0.037 |
5 |
0 |
0 |
0.175 |
3 |
7 |
|
[HEC]E:1482 |
42 |
1 |
805 |
cf |
E |
x,y,z |
1_555 |
84 |
28 |
20183 |
561.5 |
-15.4 |
0.614 |
5 |
0 |
0 |
0.114 |
8 |
|
[HEC]C:1482 |
42 |
1 |
804 |
cf |
C |
x,y,z |
1_555 |
84 |
28 |
20202 |
559.6 |
-15.4 |
0.637 |
5 |
0 |
0 |
0.114 |
9 |
|
[HEC]G:1482 |
42 |
1 |
808 |
cf |
G |
x,y,z |
1_555 |
83 |
29 |
20155 |
559.0 |
-15.6 |
0.616 |
5 |
0 |
0 |
0.114 |
10 |
|
[HEC]A:1482 |
42 |
1 |
804 |
cf |
A |
x,y,z |
1_555 |
83 |
28 |
20164 |
559.0 |
-15.5 |
0.612 |
5 |
0 |
0 |
0.114 |
Average: |
559.8 |
-15.5 |
0.620 |
5 |
0 |
0 |
0.114 |
4 |
11 |
|
[HEC]E:1485 |
43 |
1 |
842 |
cf |
E |
x,y,z |
1_555 |
80 |
27 |
20183 |
512.8 |
-19.5 |
0.137 |
1 |
0 |
0 |
0.128 |
12 |
|
[HEC]A:1485 |
43 |
1 |
844 |
cf |
A |
x,y,z |
1_555 |
80 |
27 |
20164 |
512.7 |
-19.6 |
0.132 |
1 |
0 |
0 |
0.128 |
13 |
|
[HEC]G:1485 |
43 |
1 |
838 |
cf |
G |
x,y,z |
1_555 |
79 |
26 |
20155 |
512.3 |
-19.4 |
0.131 |
1 |
0 |
0 |
0.128 |
14 |
|
[HEC]C:1485 |
43 |
1 |
839 |
cf |
C |
x,y,z |
1_555 |
81 |
26 |
20202 |
511.8 |
-19.5 |
0.134 |
1 |
0 |
0 |
0.128 |
Average: |
512.4 |
-19.5 |
0.133 |
1 |
0 |
0 |
0.128 |
5 |
15 |
|
[HEC]A:1484 |
43 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
71 |
28 |
20164 |
488.3 |
-17.6 |
0.220 |
2 |
0 |
0 |
0.118 |
16 |
|
[HEC]C:1484 |
43 |
1 |
846 |
cf |
C |
x,y,z |
1_555 |
71 |
28 |
20202 |
486.4 |
-17.5 |
0.228 |
2 |
0 |
0 |
0.118 |
17 |
|
[HEC]G:1484 |
43 |
1 |
844 |
cf |
G |
x,y,z |
1_555 |
73 |
28 |
20155 |
485.6 |
-17.5 |
0.225 |
2 |
0 |
0 |
0.118 |
18 |
|
[HEC]E:1484 |
43 |
1 |
843 |
cf |
E |
x,y,z |
1_555 |
75 |
28 |
20183 |
484.8 |
-17.4 |
0.247 |
2 |
0 |
0 |
0.118 |
Average: |
486.3 |
-17.5 |
0.230 |
2 |
0 |
0 |
0.118 |
6 |
19 |
|
[HEC]A:1486 |
42 |
1 |
821 |
cf |
A |
x,y,z |
1_555 |
57 |
20 |
20164 |
481.9 |
-18.0 |
0.064 |
2 |
0 |
0 |
0.121 |
20 |
|
[HEC]G:1486 |
41 |
1 |
818 |
cf |
G |
x,y,z |
1_555 |
56 |
20 |
20155 |
480.5 |
-18.0 |
0.057 |
2 |
0 |
0 |
0.121 |
21 |
|
[HEC]E:1486 |
41 |
1 |
820 |
cf |
E |
x,y,z |
1_555 |
57 |
20 |
20183 |
480.0 |
-17.9 |
0.060 |
2 |
0 |
0 |
0.121 |
22 |
|
[HEC]C:1486 |
41 |
1 |
819 |
cf |
C |
x,y,z |
1_555 |
56 |
20 |
20202 |
479.7 |
-17.9 |
0.062 |
2 |
0 |
0 |
0.121 |
Average: |
480.5 |
-17.9 |
0.061 |
2 |
0 |
0 |
0.121 |
7 |
23 |
|
A |
35 |
10 |
20164 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
9 |
20202 |
299.7 |
-1.6 |
0.491 |
6 |
0 |
0 |
0.000 |
8 |
24 |
|
G |
31 |
9 |
20155 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
31 |
10 |
20183 |
255.0 |
0.6 |
0.719 |
1 |
1 |
0 |
0.000 |
25 |
|
E |
33 |
10 |
20183 |
◊ |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
29 |
10 |
20155 |
242.9 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
Average: |
249.0 |
0.5 |
0.707 |
1 |
1 |
0 |
0.000 |
9 |
26 |
|
A |
20 |
8 |
20164 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
19 |
4 |
20183 |
163.2 |
-1.8 |
0.372 |
0 |
0 |
0 |
0.000 |
10 |
27 |
|
[GOL]G:1481 |
6 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
23 |
11 |
20155 |
138.8 |
-0.2 |
0.504 |
4 |
0 |
0 |
0.012 |
28 |
|
[GOL]E:1481 |
6 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
20183 |
138.4 |
-0.2 |
0.507 |
3 |
0 |
0 |
0.012 |
29 |
|
[GOL]C:1481 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
20202 |
137.3 |
-0.1 |
0.507 |
4 |
0 |
0 |
0.012 |
30 |
|
[GOL]A:1481 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
20164 |
137.1 |
-0.2 |
0.510 |
4 |
0 |
0 |
0.012 |
Average: |
137.9 |
-0.2 |
0.507 |
4 |
0 |
0 |
0.012 |
11 |
31 |
|
G |
15 |
6 |
20155 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
6 |
20164 |
135.3 |
1.3 |
0.790 |
2 |
2 |
0 |
0.000 |
12 |
32 |
|
A |
16 |
4 |
20164 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
5 |
20202 |
109.5 |
2.5 |
0.841 |
0 |
2 |
0 |
0.000 |
13 |
33 |
|
[HEC]E:1486 |
16 |
1 |
820 |
◊ |
[HEC]C:1486 |
x,y,z |
1_555 |
17 |
1 |
819 |
105.3 |
-4.2 |
0.992 |
0 |
0 |
0 |
0.014 |
34 |
|
[HEC]G:1486 |
16 |
1 |
818 |
◊ |
[HEC]A:1486 |
x,y,z |
1_555 |
15 |
1 |
821 |
105.3 |
-4.2 |
0.987 |
0 |
0 |
0 |
0.014 |
Average: |
105.3 |
-4.2 |
0.990 |
0 |
0 |
0 |
0.014 |
14 |
35 |
|
[HEC]E:1486 |
11 |
1 |
820 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
20202 |
102.1 |
-3.5 |
0.588 |
1 |
0 |
0 |
0.025 |
36 |
|
[HEC]C:1486 |
11 |
1 |
819 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
20183 |
101.3 |
-3.5 |
0.590 |
1 |
0 |
0 |
0.025 |
37 |
|
[HEC]A:1486 |
11 |
1 |
821 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
20155 |
97.4 |
-3.4 |
0.567 |
1 |
0 |
0 |
0.025 |
38 |
|
[HEC]G:1486 |
11 |
1 |
818 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20164 |
96.0 |
-3.6 |
0.533 |
1 |
0 |
0 |
0.025 |
Average: |
99.2 |
-3.5 |
0.569 |
1 |
0 |
0 |
0.025 |
15 |
39 |
|
[HEC]G:1485 |
20 |
1 |
838 |
f |
[HEC]G:1484 |
x,y,z |
1_555 |
19 |
1 |
844 |
100.2 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.024 |
40 |
|
[HEC]A:1485 |
21 |
1 |
844 |
f |
[HEC]A:1484 |
x,y,z |
1_555 |
19 |
1 |
848 |
99.7 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.024 |
41 |
|
[HEC]C:1485 |
21 |
1 |
839 |
f |
[HEC]C:1484 |
x,y,z |
1_555 |
19 |
1 |
846 |
99.5 |
-3.8 |
0.999 |
0 |
0 |
0 |
0.024 |
42 |
|
[HEC]E:1485 |
20 |
1 |
842 |
f |
[HEC]E:1484 |
x,y,z |
1_555 |
19 |
1 |
843 |
99.0 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.024 |
Average: |
99.6 |
-3.8 |
0.998 |
0 |
0 |
0 |
0.024 |
16 |
43 |
|
[HEC]G:1484 |
19 |
1 |
844 |
f |
[HEC]G:1482 |
x,y,z |
1_555 |
18 |
1 |
808 |
94.1 |
-3.6 |
0.998 |
0 |
0 |
0 |
0.023 |
44 |
|
[HEC]C:1484 |
19 |
1 |
846 |
f |
[HEC]C:1482 |
x,y,z |
1_555 |
16 |
1 |
804 |
93.8 |
-3.7 |
0.997 |
0 |
0 |
0 |
0.023 |
45 |
|
[HEC]E:1484 |
19 |
1 |
843 |
f |
[HEC]E:1482 |
x,y,z |
1_555 |
16 |
1 |
805 |
93.5 |
-3.6 |
0.996 |
0 |
0 |
0 |
0.023 |
46 |
|
[HEC]A:1484 |
18 |
1 |
848 |
f |
[HEC]A:1482 |
x,y,z |
1_555 |
16 |
1 |
804 |
92.9 |
-3.7 |
0.995 |
0 |
0 |
0 |
0.023 |
Average: |
93.6 |
-3.6 |
0.997 |
0 |
0 |
0 |
0.023 |
17 |
47 |
|
[HEC]E:1486 |
15 |
1 |
820 |
f |
[HEC]E:1485 |
x,y,z |
1_555 |
4 |
1 |
842 |
71.2 |
-2.5 |
0.768 |
0 |
0 |
0 |
0.016 |
48 |
|
[HEC]C:1486 |
15 |
1 |
819 |
f |
[HEC]C:1485 |
x,y,z |
1_555 |
4 |
1 |
839 |
70.8 |
-2.6 |
0.762 |
0 |
0 |
0 |
0.016 |
49 |
|
[HEC]A:1486 |
15 |
1 |
821 |
f |
[HEC]A:1485 |
x,y,z |
1_555 |
4 |
1 |
844 |
70.5 |
-2.5 |
0.763 |
0 |
0 |
0 |
0.016 |
50 |
|
[HEC]G:1486 |
15 |
1 |
818 |
f |
[HEC]G:1485 |
x,y,z |
1_555 |
4 |
1 |
838 |
70.3 |
-2.5 |
0.777 |
0 |
0 |
0 |
0.016 |
Average: |
70.7 |
-2.5 |
0.767 |
0 |
0 |
0 |
0.016 |
18 |
51 |
|
A |
10 |
3 |
20164 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
2 |
20183 |
69.0 |
0.4 |
0.714 |
0 |
2 |
0 |
0.000 |
19 |
52 |
|
[HEC]A:1484 |
8 |
1 |
848 |
f |
[HEC]A:1483 |
x,y,z |
1_555 |
4 |
1 |
818 |
59.7 |
-1.8 |
0.790 |
0 |
0 |
0 |
0.012 |
53 |
|
[HEC]E:1484 |
8 |
1 |
843 |
f |
[HEC]E:1483 |
x,y,z |
1_555 |
4 |
1 |
818 |
59.5 |
-1.8 |
0.804 |
0 |
0 |
0 |
0.012 |
54 |
|
[HEC]C:1484 |
8 |
1 |
846 |
f |
[HEC]C:1483 |
x,y,z |
1_555 |
4 |
1 |
820 |
59.3 |
-1.8 |
0.799 |
0 |
0 |
0 |
0.012 |
55 |
|
[HEC]G:1484 |
8 |
1 |
844 |
f |
[HEC]G:1483 |
x,y,z |
1_555 |
4 |
1 |
821 |
58.8 |
-1.8 |
0.805 |
0 |
0 |
0 |
0.012 |
Average: |
59.3 |
-1.8 |
0.799 |
0 |
0 |
0 |
0.012 |
20 |
56 |
|
C |
4 |
2 |
20202 |
◊ |
E |
x,y-1,z |
1_545 |
6 |
3 |
20183 |
47.3 |
1.2 |
0.782 |
0 |
1 |
0 |
0.000 |
57 |
|
A |
5 |
3 |
20164 |
◊ |
G |
x,y-1,z |
1_545 |
8 |
4 |
20155 |
36.0 |
0.8 |
0.677 |
0 |
0 |
0 |
0.000 |
Average: |
41.6 |
1.0 |
0.729 |
0 |
1 |
0 |
0.000 |
21 |
58 |
|
[CA]G:1479 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
20155 |
46.2 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.082 |
59 |
|
[CA]A:1479 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20164 |
46.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.082 |
60 |
|
[CA]C:1479 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
20202 |
45.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.082 |
61 |
|
[CA]E:1479 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
20183 |
45.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
45.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.082 |
22 |
62 |
|
G |
6 |
4 |
20155 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
5 |
20183 |
44.5 |
-0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
23 |
63 |
|
C |
3 |
1 |
20202 |
◊ |
E |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
3 |
20183 |
33.7 |
-0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
24 |
64 |
|
G |
2 |
1 |
20155 |
x |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
20155 |
28.9 |
0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
25 |
65 |
|
[CA]G:1480 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
3 |
20155 |
25.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.031 |
66 |
|
[CA]C:1480 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
20202 |
25.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.031 |
67 |
|
[CA]E:1480 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
20183 |
24.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.031 |
68 |
|
[CA]A:1480 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20164 |
24.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
24.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.031 |
26 |
69 |
|
[HEC]A:1485 |
3 |
1 |
844 |
f |
[CA]A:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.064 |
70 |
|
[HEC]C:1485 |
3 |
1 |
839 |
f |
[CA]C:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.064 |
71 |
|
[HEC]E:1485 |
3 |
1 |
842 |
f |
[CA]E:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.064 |
72 |
|
[HEC]G:1485 |
3 |
1 |
838 |
f |
[CA]G:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.064 |
73 |
|
[HEC]E:1484 |
2 |
1 |
843 |
f |
[CA]E:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.064 |
74 |
|
[HEC]A:1484 |
2 |
1 |
848 |
f |
[CA]A:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.064 |
75 |
|
[HEC]G:1484 |
2 |
1 |
844 |
f |
[CA]G:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.064 |
76 |
|
[HEC]C:1484 |
2 |
1 |
846 |
f |
[CA]C:1480 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
23.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.064 |
27 |
77 |
|
[HEC]C:1485 |
1 |
1 |
839 |
f |
[HEC]C:1482 |
x,y,z |
1_555 |
3 |
1 |
804 |
16.1 |
-0.5 |
0.603 |
0 |
0 |
0 |
0.003 |
78 |
|
[HEC]G:1485 |
1 |
1 |
838 |
f |
[HEC]G:1482 |
x,y,z |
1_555 |
3 |
1 |
808 |
16.0 |
-0.5 |
0.601 |
0 |
0 |
0 |
0.003 |
79 |
|
[HEC]E:1485 |
1 |
1 |
842 |
f |
[HEC]E:1482 |
x,y,z |
1_555 |
3 |
1 |
805 |
15.8 |
-0.5 |
0.599 |
0 |
0 |
0 |
0.003 |
80 |
|
[HEC]A:1485 |
1 |
1 |
844 |
f |
[HEC]A:1482 |
x,y,z |
1_555 |
4 |
1 |
804 |
15.6 |
-0.5 |
0.624 |
0 |
0 |
0 |
0.003 |
Average: |
15.9 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.003 |
28 |
81 |
|
G |
1 |
1 |
20155 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
20183 |
4.3 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
|