| ## |
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 |
647 |
211 |
36038 |
◊ |
A |
x,y,z |
1_555 |
550 |
131 |
18959 |
5716.1 |
-20.6 |
0.979 |
34 |
24 |
0 |
0.140 |
| 2 |
2 |
|
C |
86 |
24 |
29044 |
◊ |
B |
x,y,z |
1_555 |
77 |
21 |
36038 |
727.4 |
-6.5 |
0.333 |
2 |
0 |
0 |
0.014 |
| 3 |
3 |
|
B |
59 |
21 |
36038 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
60 |
21 |
36038 |
561.4 |
-7.3 |
0.224 |
0 |
2 |
0 |
0.000 |
| 4 |
4 |
|
[HEC]C:803 |
43 |
1 |
838 |
cf |
C |
x,y,z |
1_555 |
90 |
30 |
29044 |
554.4 |
-21.6 |
0.280 |
4 |
0 |
0 |
0.099 |
| 5 |
5 |
|
[HEC]A:902 |
40 |
1 |
800 |
cf |
A |
x,y,z |
1_555 |
66 |
22 |
18959 |
550.7 |
-20.4 |
0.286 |
2 |
0 |
0 |
0.076 |
| 6 |
6 |
|
[HEC]C:808 |
43 |
1 |
808 |
cf |
C |
x,y,z |
1_555 |
86 |
30 |
29044 |
540.8 |
-21.5 |
0.213 |
3 |
0 |
0 |
0.096 |
| 7 |
7 |
|
[HEC]C:807 |
41 |
1 |
805 |
cf |
C |
x,y,z |
1_555 |
63 |
25 |
29044 |
537.8 |
-18.4 |
0.251 |
1 |
0 |
0 |
0.080 |
| 8 |
8 |
|
[HEC]A:903 |
40 |
1 |
834 |
cf |
A |
x,y,z |
1_555 |
62 |
20 |
18959 |
532.3 |
-20.3 |
0.173 |
0 |
0 |
0 |
0.072 |
| 9 |
9 |
|
[HEC]A:904 |
43 |
1 |
798 |
c |
A |
x,y,z |
1_555 |
66 |
24 |
18959 |
528.3 |
-18.1 |
0.568 |
1 |
0 |
0 |
0.066 |
| 10 |
10 |
|
[HEC]C:801 |
42 |
1 |
817 |
cf |
C |
x,y,z |
1_555 |
69 |
26 |
29044 |
519.5 |
-18.6 |
0.180 |
0 |
0 |
0 |
0.078 |
| 11 |
11 |
|
[HEC]A:906 |
42 |
1 |
824 |
c |
A |
x,y,z |
1_555 |
60 |
21 |
18959 |
518.0 |
-17.2 |
0.505 |
0 |
0 |
0 |
0.061 |
| 12 |
12 |
|
[HEC]C:806 |
43 |
1 |
795 |
cf |
C |
x,y,z |
1_555 |
60 |
24 |
29044 |
514.9 |
-17.7 |
0.212 |
0 |
0 |
0 |
0.075 |
| 13 |
13 |
|
[HEC]C:802 |
42 |
1 |
807 |
cf |
C |
x,y,z |
1_555 |
57 |
19 |
29044 |
505.5 |
-18.1 |
0.172 |
0 |
0 |
0 |
0.076 |
| 14 |
14 |
|
[HEC]A:905 |
42 |
1 |
813 |
cf |
A |
x,y,z |
1_555 |
58 |
20 |
18959 |
498.8 |
-18.1 |
0.240 |
0 |
0 |
0 |
0.064 |
| 15 |
15 |
|
C |
61 |
22 |
29044 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
18959 |
486.9 |
-6.0 |
0.463 |
0 |
2 |
0 |
0.012 |
| 16 |
16 |
|
[HEC]A:908 |
42 |
1 |
804 |
cf |
A |
x,y,z |
1_555 |
64 |
22 |
18959 |
484.4 |
-16.4 |
0.543 |
2 |
0 |
0 |
0.061 |
| 17 |
17 |
|
[HEC]C:810 |
40 |
1 |
814 |
cf |
C |
x,y,z |
1_555 |
50 |
19 |
29044 |
461.6 |
-16.9 |
0.108 |
0 |
0 |
0 |
0.071 |
| 18 |
18 |
|
[HEC]A:901 |
38 |
1 |
820 |
c |
A |
x,y,z |
1_555 |
52 |
16 |
18959 |
433.4 |
-15.0 |
0.343 |
0 |
0 |
0 |
0.053 |
| 19 |
19 |
|
[HEC]A:907 |
39 |
1 |
821 |
c |
A |
x,y,z |
1_555 |
59 |
21 |
18959 |
423.6 |
-17.1 |
0.167 |
0 |
0 |
0 |
0.061 |
| 20 |
20 |
|
[HEC]A:910 |
43 |
1 |
816 |
cf |
A |
x,y,z |
1_555 |
49 |
17 |
18959 |
412.3 |
-14.2 |
0.369 |
0 |
0 |
0 |
0.051 |
| 21 |
21 |
|
[HEC]C:804 |
39 |
1 |
806 |
cf |
C |
x,y,z |
1_555 |
52 |
19 |
29044 |
412.2 |
-14.8 |
0.135 |
0 |
0 |
0 |
0.063 |
| 22 |
22 |
|
[HEC]A:909 |
41 |
1 |
808 |
◊ |
A |
x,y,z |
1_555 |
53 |
19 |
18959 |
412.0 |
-15.3 |
0.220 |
0 |
0 |
0 |
0.054 |
| 23 |
23 |
|
[HEC]C:805 |
40 |
1 |
813 |
cf |
C |
x,y,z |
1_555 |
47 |
20 |
29044 |
400.4 |
-13.3 |
0.176 |
0 |
0 |
0 |
0.056 |
| 24 |
24 |
|
[HEC]C:809 |
36 |
1 |
807 |
cf |
C |
x,y,z |
1_555 |
47 |
18 |
29044 |
386.7 |
-13.7 |
0.088 |
0 |
0 |
0 |
0.058 |
| 25 |
25 |
|
C |
35 |
11 |
29044 |
◊ |
B |
x,-y,-z |
4_555 |
39 |
11 |
36038 |
319.0 |
-2.9 |
0.477 |
1 |
0 |
0 |
0.006 |
| 26 |
26 |
|
C |
28 |
10 |
29044 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
28 |
10 |
29044 |
284.4 |
-5.2 |
0.167 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[HEC]A:909 |
17 |
1 |
808 |
f |
B |
x,y,z |
1_555 |
36 |
13 |
36038 |
232.9 |
-7.8 |
0.378 |
1 |
0 |
0 |
0.029 |
| 28 |
28 |
|
[HEC]A:910 |
15 |
1 |
816 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
36038 |
192.1 |
-6.7 |
0.464 |
0 |
0 |
0 |
0.024 |
| 29 |
29 |
|
C |
20 |
5 |
29044 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
19 |
7 |
36038 |
185.5 |
-3.5 |
0.170 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[HEC]A:907 |
16 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
36038 |
177.5 |
-4.6 |
0.737 |
2 |
0 |
0 |
0.019 |
| 31 |
31 |
|
[HEC]C:805 |
16 |
1 |
813 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
36038 |
159.4 |
-4.4 |
0.490 |
0 |
0 |
0 |
0.008 |
| 32 |
32 |
|
[HEC]C:810 |
22 |
1 |
814 |
f |
[HEC]C:809 |
x,y,z |
1_555 |
23 |
1 |
807 |
141.7 |
-6.5 |
0.996 |
0 |
0 |
0 |
0.052 |
33 |
|
[HEC]C:805 |
22 |
1 |
813 |
f |
[HEC]C:804 |
x,y,z |
1_555 |
22 |
1 |
806 |
141.6 |
-5.7 |
0.998 |
0 |
0 |
0 |
0.052 |
| Average: |
141.6 |
-6.1 |
0.997 |
0 |
0 |
0 |
0.052 |
| 33 |
34 |
|
[HEC]A:906 |
18 |
1 |
824 |
◊ |
[HEC]A:905 |
x,y,z |
1_555 |
21 |
1 |
813 |
102.4 |
-3.0 |
1.000 |
0 |
0 |
0 |
0.046 |
35 |
|
[HEC]A:908 |
18 |
1 |
804 |
◊ |
[HEC]A:907 |
x,y,z |
1_555 |
22 |
1 |
821 |
97.7 |
-2.9 |
1.000 |
0 |
0 |
0 |
0.046 |
36 |
|
[HEC]A:902 |
18 |
1 |
800 |
◊ |
[HEC]A:901 |
x,y,z |
1_555 |
18 |
1 |
820 |
95.5 |
-2.5 |
1.000 |
0 |
0 |
0 |
0.046 |
37 |
|
[HEC]A:904 |
18 |
1 |
798 |
◊ |
[HEC]A:903 |
x,y,z |
1_555 |
19 |
1 |
834 |
88.5 |
-2.2 |
1.000 |
0 |
0 |
0 |
0.046 |
38 |
|
[HEC]A:910 |
15 |
1 |
816 |
◊ |
[HEC]A:909 |
x,y,z |
1_555 |
13 |
1 |
808 |
72.5 |
-2.3 |
0.993 |
0 |
0 |
0 |
0.046 |
| Average: |
91.3 |
-2.6 |
0.998 |
0 |
0 |
0 |
0.046 |
| 34 |
39 |
|
[HEC]C:809 |
19 |
1 |
807 |
f |
[HEC]C:808 |
x,y,z |
1_555 |
14 |
1 |
808 |
100.3 |
-3.3 |
0.995 |
0 |
0 |
0 |
0.014 |
| 35 |
40 |
|
[HEC]C:804 |
15 |
1 |
806 |
f |
[HEC]C:803 |
x,y,z |
1_555 |
16 |
1 |
838 |
99.6 |
-3.2 |
0.995 |
0 |
0 |
0 |
0.013 |
| 36 |
41 |
|
[HEC]A:905 |
9 |
1 |
813 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
36038 |
95.7 |
-3.7 |
0.576 |
1 |
0 |
0 |
0.015 |
| 37 |
42 |
|
[HEC]C:807 |
11 |
1 |
805 |
f |
[HEC]C:806 |
x,y,z |
1_555 |
11 |
1 |
795 |
92.7 |
-3.4 |
0.959 |
0 |
0 |
0 |
0.014 |
| 38 |
43 |
|
C |
9 |
5 |
29044 |
◊ |
C |
x,-y,-z+1 |
4_556 |
9 |
5 |
29044 |
81.6 |
1.9 |
0.928 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[HEC]A:910 |
16 |
1 |
816 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
29044 |
79.7 |
-2.1 |
0.518 |
0 |
0 |
0 |
0.004 |
| 40 |
45 |
|
C |
8 |
6 |
29044 |
◊ |
C |
x,-y,-z |
4_555 |
8 |
6 |
29044 |
72.3 |
1.5 |
0.931 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
[HEC]A:908 |
10 |
1 |
804 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
36038 |
71.7 |
-1.5 |
0.871 |
1 |
0 |
0 |
0.007 |
| 42 |
47 |
|
[HEC]C:802 |
10 |
1 |
807 |
◊ |
C |
x,-y,-z |
4_555 |
6 |
3 |
29044 |
71.0 |
-1.6 |
0.873 |
0 |
0 |
0 |
0.007 |
| 43 |
48 |
|
[HEC]A:907 |
15 |
1 |
821 |
f |
[HEC]A:906 |
x,y,z |
1_555 |
4 |
1 |
824 |
68.3 |
-2.2 |
0.785 |
0 |
0 |
0 |
0.008 |
| 44 |
49 |
|
[HEC]C:803 |
5 |
1 |
838 |
f |
[HEC]C:801 |
x,y,z |
1_555 |
15 |
1 |
817 |
68.0 |
-2.3 |
0.848 |
0 |
0 |
0 |
0.018 |
50 |
|
[HEC]C:808 |
4 |
1 |
808 |
f |
[HEC]C:806 |
x,y,z |
1_555 |
15 |
1 |
795 |
59.6 |
-2.0 |
0.794 |
0 |
0 |
0 |
0.018 |
| Average: |
63.8 |
-2.1 |
0.821 |
0 |
0 |
0 |
0.018 |
| 45 |
51 |
|
[HEC]A:905 |
12 |
1 |
813 |
◊ |
[HEC]A:904 |
x,y,z |
1_555 |
4 |
1 |
798 |
67.8 |
-2.1 |
0.775 |
0 |
0 |
0 |
0.007 |
| 46 |
52 |
|
[HEC]C:802 |
4 |
1 |
807 |
f |
[HEC]C:801 |
x,y,z |
1_555 |
5 |
1 |
817 |
67.0 |
-2.1 |
0.687 |
0 |
0 |
0 |
0.009 |
| 47 |
53 |
|
[HEC]A:903 |
13 |
1 |
834 |
f |
[HEC]A:902 |
x,y,z |
1_555 |
4 |
1 |
800 |
64.6 |
-2.0 |
0.794 |
0 |
0 |
0 |
0.007 |
| 48 |
54 |
|
[HEC]A:909 |
13 |
1 |
808 |
◊ |
[HEC]A:908 |
x,y,z |
1_555 |
4 |
1 |
804 |
58.0 |
-1.8 |
0.799 |
0 |
0 |
0 |
0.006 |
| 49 |
55 |
|
[HEC]C:802 |
6 |
1 |
807 |
◊ |
[HEC]C:802 |
x,-y,-z |
4_555 |
6 |
1 |
807 |
54.4 |
-3.3 |
0.706 |
0 |
0 |
0 |
0.007 |
| 50 |
56 |
|
[HEC]C:809 |
7 |
1 |
807 |
◊ |
C |
x,-y,-z |
4_555 |
6 |
2 |
29044 |
53.6 |
-2.0 |
0.576 |
0 |
0 |
0 |
0.008 |
| 51 |
57 |
|
[CA]C:812 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
29044 |
44.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.051 |
| 52 |
58 |
|
[CA]B:701 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
36038 |
43.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 53 |
59 |
|
[CA]C:811 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
29044 |
43.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 54 |
60 |
|
[HEC]A:903 |
6 |
1 |
834 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
36038 |
41.9 |
-1.2 |
0.778 |
0 |
0 |
0 |
0.004 |
| 55 |
61 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
36038 |
41.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.032 |
| 56 |
62 |
|
[HEC]C:806 |
4 |
1 |
795 |
f |
[HEC]C:801 |
x,y,z |
1_555 |
3 |
1 |
817 |
31.7 |
-1.0 |
0.775 |
0 |
0 |
0 |
0.004 |
| 57 |
63 |
|
[HEC]C:801 |
4 |
1 |
817 |
◊ |
C |
x,-y,-z |
4_555 |
5 |
3 |
29044 |
27.9 |
-1.1 |
0.580 |
0 |
0 |
0 |
0.004 |
| 58 |
64 |
|
[HEC]C:802 |
2 |
1 |
807 |
◊ |
[HEC]C:801 |
x,-y,-z |
4_555 |
2 |
1 |
817 |
25.8 |
-2.5 |
0.242 |
0 |
0 |
0 |
0.010 |
| 59 |
65 |
|
[HEC]A:906 |
3 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
36038 |
20.7 |
-0.5 |
0.712 |
0 |
0 |
0 |
0.002 |
| 60 |
66 |
|
B |
3 |
1 |
36038 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
2 |
29044 |
14.9 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
| 61 |
67 |
|
A |
2 |
2 |
18959 |
◊ |
A |
x,-y+1,-z |
4_565 |
2 |
2 |
18959 |
13.0 |
-0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
| 62 |
68 |
|
[CA]B:702 |
1 |
1 |
85 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
36038 |
12.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
69 |
|
[HEC]C:805 |
2 |
1 |
813 |
◊ |
[HEC]A:910 |
x,y,z |
1_555 |
1 |
1 |
816 |
11.4 |
-0.4 |
0.646 |
0 |
0 |
0 |
0.000 |
| 64 |
70 |
|
C |
2 |
1 |
29044 |
◊ |
A |
x,-y,-z |
4_555 |
3 |
3 |
18959 |
6.6 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 65 |
71 |
|
[HEC]C:810 |
1 |
1 |
814 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
36038 |
5.8 |
-0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
| 66 |
72 |
|
[CA]C:812 |
1 |
1 |
85 |
f |
[HEC]C:807 |
x,y,z |
1_555 |
2 |
1 |
805 |
4.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
|