## |
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 |
158 |
41 |
24026 |
x |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
158 |
44 |
24026 |
1494.6 |
-12.4 |
0.284 |
18 |
7 |
0 |
0.092 |
2 |
|
B |
164 |
45 |
23963 |
x |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
153 |
41 |
23963 |
1491.4 |
-12.2 |
0.304 |
19 |
7 |
0 |
0.092 |
Average: |
1493.0 |
-12.3 |
0.294 |
19 |
7 |
0 |
0.092 |
2 |
3 |
|
B |
127 |
37 |
23963 |
◊ |
A |
x,y,z |
1_555 |
127 |
38 |
24026 |
1177.5 |
-5.6 |
0.602 |
18 |
0 |
0 |
0.031 |
3 |
4 |
|
[HEC]A:608 |
42 |
1 |
837 |
cf |
A |
x,y,z |
1_555 |
82 |
26 |
24026 |
556.3 |
-20.3 |
0.238 |
3 |
0 |
0 |
0.096 |
5 |
|
[HEC]B:608 |
43 |
1 |
838 |
cf |
B |
x,y,z |
1_555 |
82 |
26 |
23963 |
545.0 |
-19.7 |
0.281 |
2 |
0 |
0 |
0.096 |
Average: |
550.7 |
-20.0 |
0.260 |
3 |
0 |
0 |
0.096 |
4 |
6 |
|
[HEC]B:604 |
43 |
1 |
830 |
cf |
B |
x,y,z |
1_555 |
87 |
26 |
23963 |
524.6 |
-19.4 |
0.226 |
4 |
0 |
0 |
0.097 |
7 |
|
[HEC]A:604 |
43 |
1 |
827 |
cf |
A |
x,y,z |
1_555 |
87 |
27 |
24026 |
524.2 |
-19.4 |
0.215 |
4 |
0 |
0 |
0.097 |
Average: |
524.4 |
-19.4 |
0.220 |
4 |
0 |
0 |
0.097 |
5 |
8 |
|
[HEC]A:602 |
42 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
72 |
26 |
24026 |
521.3 |
-19.4 |
0.111 |
3 |
0 |
0 |
0.094 |
9 |
|
[HEC]B:602 |
42 |
1 |
827 |
cf |
B |
x,y,z |
1_555 |
70 |
25 |
23963 |
518.8 |
-19.0 |
0.112 |
3 |
0 |
0 |
0.094 |
Average: |
520.0 |
-19.2 |
0.112 |
3 |
0 |
0 |
0.094 |
6 |
10 |
|
[HEC]B:606 |
43 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
77 |
28 |
23963 |
512.5 |
-21.0 |
0.105 |
6 |
0 |
0 |
0.109 |
11 |
|
[HEC]A:606 |
43 |
1 |
829 |
cf |
A |
x,y,z |
1_555 |
79 |
27 |
24026 |
510.0 |
-21.4 |
0.095 |
6 |
0 |
0 |
0.109 |
Average: |
511.3 |
-21.2 |
0.100 |
6 |
0 |
0 |
0.109 |
7 |
12 |
|
[HEC]A:601 |
42 |
1 |
815 |
cf |
A |
x,y,z |
1_555 |
78 |
29 |
24026 |
510.6 |
-13.6 |
0.738 |
5 |
0 |
0 |
0.072 |
13 |
|
[HEC]B:601 |
43 |
1 |
816 |
cf |
B |
x,y,z |
1_555 |
78 |
29 |
23963 |
510.3 |
-13.6 |
0.758 |
5 |
0 |
0 |
0.072 |
Average: |
510.4 |
-13.6 |
0.748 |
5 |
0 |
0 |
0.072 |
8 |
14 |
|
[HEC]A:603 |
43 |
1 |
852 |
cf |
A |
x,y,z |
1_555 |
85 |
28 |
24026 |
505.1 |
-19.3 |
0.257 |
2 |
0 |
0 |
0.092 |
15 |
|
[HEC]B:603 |
43 |
1 |
851 |
cf |
B |
x,y,z |
1_555 |
85 |
28 |
23963 |
504.1 |
-19.3 |
0.260 |
2 |
0 |
0 |
0.092 |
Average: |
504.6 |
-19.3 |
0.258 |
2 |
0 |
0 |
0.092 |
9 |
16 |
|
[HEC]A:605 |
42 |
1 |
854 |
cf |
A |
x,y,z |
1_555 |
49 |
20 |
24026 |
498.9 |
-18.3 |
0.033 |
0 |
0 |
0 |
0.084 |
17 |
|
[HEC]B:605 |
42 |
1 |
850 |
cf |
B |
x,y,z |
1_555 |
53 |
20 |
23963 |
496.0 |
-18.4 |
0.038 |
0 |
0 |
0 |
0.084 |
Average: |
497.4 |
-18.3 |
0.036 |
0 |
0 |
0 |
0.084 |
10 |
18 |
|
[HEC]B:607 |
43 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
55 |
21 |
23963 |
442.6 |
-15.1 |
0.093 |
0 |
0 |
0 |
0.069 |
19 |
|
[HEC]A:607 |
42 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
58 |
21 |
24026 |
438.3 |
-15.0 |
0.107 |
0 |
0 |
0 |
0.069 |
Average: |
440.5 |
-15.0 |
0.100 |
0 |
0 |
0 |
0.069 |
11 |
20 |
|
A |
31 |
10 |
24026 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
45 |
16 |
23963 |
358.8 |
-1.2 |
0.526 |
4 |
2 |
0 |
0.000 |
12 |
21 |
|
B |
27 |
10 |
23963 |
x |
B |
-z+1/2,-x,y+1/2 |
6_555 |
21 |
5 |
23963 |
199.4 |
2.6 |
0.843 |
6 |
3 |
0 |
0.000 |
13 |
22 |
|
A |
17 |
5 |
24026 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
17 |
5 |
23963 |
163.7 |
-0.2 |
0.651 |
4 |
0 |
0 |
0.004 |
14 |
23 |
|
[MPD]A:612 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
24026 |
160.3 |
-9.2 |
0.720 |
3 |
0 |
0 |
0.048 |
24 |
|
[MPD]B:611 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
23963 |
158.9 |
-9.1 |
0.725 |
3 |
0 |
0 |
0.048 |
Average: |
159.6 |
-9.1 |
0.723 |
3 |
0 |
0 |
0.048 |
15 |
25 |
|
B |
16 |
3 |
23963 |
◊ |
[HEC]B:605 |
z-1/2,-x+1/2,-y+1 |
7_456 |
18 |
1 |
850 |
137.8 |
-4.6 |
0.668 |
2 |
0 |
0 |
0.023 |
26 |
|
[HEC]A:605 |
18 |
1 |
854 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
16 |
3 |
24026 |
137.5 |
-4.5 |
0.651 |
2 |
0 |
0 |
0.023 |
Average: |
137.6 |
-4.6 |
0.659 |
2 |
0 |
0 |
0.023 |
16 |
27 |
|
[HEC]A:608 |
22 |
1 |
837 |
f |
[HEC]A:606 |
x,y,z |
1_555 |
20 |
1 |
829 |
112.8 |
-3.9 |
0.999 |
0 |
0 |
0 |
0.030 |
28 |
|
[HEC]B:608 |
21 |
1 |
838 |
f |
[HEC]B:606 |
x,y,z |
1_555 |
21 |
1 |
828 |
112.5 |
-4.0 |
0.999 |
0 |
0 |
0 |
0.030 |
29 |
|
[HEC]B:607 |
18 |
1 |
849 |
f |
[HEC]B:602 |
x,y,z |
1_555 |
19 |
1 |
827 |
96.1 |
-2.7 |
1.000 |
0 |
0 |
0 |
0.030 |
30 |
|
[HEC]A:607 |
18 |
1 |
848 |
f |
[HEC]A:602 |
x,y,z |
1_555 |
20 |
1 |
830 |
95.8 |
-2.7 |
0.999 |
0 |
0 |
0 |
0.030 |
Average: |
104.3 |
-3.3 |
0.999 |
0 |
0 |
0 |
0.030 |
17 |
31 |
|
[ACT]B:613 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23963 |
105.5 |
-1.3 |
0.580 |
1 |
0 |
0 |
0.007 |
18 |
32 |
|
[TRS]A:615 |
7 |
1 |
255 |
x |
[TRS]A:615 |
z-1/2,-x+1/2,-y+1 |
7_456 |
7 |
1 |
255 |
104.2 |
4.4 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[ACT]A:614 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
24026 |
103.7 |
-1.3 |
0.566 |
1 |
0 |
0 |
0.008 |
20 |
34 |
|
[HEC]A:607 |
11 |
1 |
848 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
23963 |
102.2 |
-3.3 |
0.277 |
0 |
0 |
0 |
0.013 |
35 |
|
[HEC]B:607 |
11 |
1 |
849 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
24026 |
96.3 |
-2.4 |
0.495 |
0 |
0 |
0 |
0.013 |
Average: |
99.2 |
-2.8 |
0.386 |
0 |
0 |
0 |
0.013 |
21 |
36 |
|
[HEC]B:603 |
17 |
1 |
851 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
19 |
1 |
816 |
97.5 |
-3.7 |
0.994 |
0 |
0 |
0 |
0.017 |
37 |
|
[HEC]A:603 |
18 |
1 |
852 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
18 |
1 |
815 |
96.7 |
-3.7 |
0.997 |
0 |
0 |
0 |
0.017 |
Average: |
97.1 |
-3.7 |
0.995 |
0 |
0 |
0 |
0.017 |
22 |
38 |
|
[HEC]B:604 |
16 |
1 |
830 |
f |
[HEC]B:603 |
x,y,z |
1_555 |
20 |
1 |
851 |
95.3 |
-3.2 |
0.995 |
0 |
0 |
0 |
0.015 |
39 |
|
[HEC]A:604 |
16 |
1 |
827 |
f |
[HEC]A:603 |
x,y,z |
1_555 |
19 |
1 |
852 |
95.1 |
-3.2 |
0.995 |
0 |
0 |
0 |
0.015 |
Average: |
95.2 |
-3.2 |
0.995 |
0 |
0 |
0 |
0.015 |
23 |
40 |
|
[SO3]A:616 |
4 |
1 |
171 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
16 |
7 |
23963 |
88.0 |
1.2 |
0.786 |
3 |
0 |
0 |
0.000 |
24 |
41 |
|
[SO3]A:613 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
24026 |
87.8 |
0.4 |
0.764 |
5 |
0 |
0 |
0.008 |
25 |
42 |
|
[SO3]B:612 |
4 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23963 |
87.6 |
0.4 |
0.762 |
5 |
0 |
0 |
0.008 |
26 |
43 |
|
[MPD]B:611 |
6 |
1 |
278 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
17 |
4 |
23963 |
85.0 |
-4.5 |
0.792 |
0 |
0 |
0 |
0.019 |
44 |
|
A |
16 |
4 |
24026 |
◊ |
[MPD]A:612 |
z-1/2,-x+1/2,-y+1 |
7_456 |
6 |
1 |
278 |
84.1 |
-4.4 |
0.796 |
0 |
0 |
0 |
0.019 |
Average: |
84.6 |
-4.4 |
0.794 |
0 |
0 |
0 |
0.019 |
27 |
45 |
|
[SO3]B:609 |
4 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23963 |
83.3 |
1.0 |
0.808 |
3 |
0 |
0 |
0.002 |
46 |
|
[SO3]A:609 |
4 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
24026 |
83.1 |
1.0 |
0.808 |
3 |
0 |
0 |
0.002 |
Average: |
83.2 |
1.0 |
0.808 |
3 |
0 |
0 |
0.002 |
28 |
47 |
|
[TRS]B:614 |
7 |
1 |
253 |
x |
[TRS]B:614 |
z-1/2,-x+1/2,-y+1 |
7_456 |
7 |
1 |
253 |
74.9 |
3.1 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
[HEC]A:605 |
14 |
1 |
854 |
f |
[HEC]A:604 |
x,y,z |
1_555 |
4 |
1 |
827 |
74.2 |
-2.6 |
0.763 |
0 |
0 |
0 |
0.012 |
49 |
|
[HEC]B:605 |
14 |
1 |
850 |
f |
[HEC]B:604 |
x,y,z |
1_555 |
4 |
1 |
830 |
72.6 |
-2.5 |
0.772 |
0 |
0 |
0 |
0.012 |
Average: |
73.4 |
-2.5 |
0.768 |
0 |
0 |
0 |
0.012 |
30 |
50 |
|
[HEC]B:607 |
5 |
1 |
849 |
◊ |
[HEC]A:607 |
x,y,z |
1_555 |
5 |
1 |
848 |
65.0 |
-2.1 |
0.755 |
0 |
0 |
0 |
0.005 |
31 |
51 |
|
[SO3]A:616 |
4 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
24026 |
60.8 |
-0.1 |
0.710 |
2 |
0 |
0 |
0.004 |
32 |
52 |
|
[SO3]B:609 |
4 |
1 |
172 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
27 |
1 |
816 |
60.8 |
-1.7 |
0.512 |
0 |
0 |
0 |
0.008 |
53 |
|
[SO3]A:609 |
4 |
1 |
174 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
26 |
1 |
815 |
60.2 |
-1.7 |
0.512 |
0 |
0 |
0 |
0.008 |
Average: |
60.5 |
-1.7 |
0.512 |
0 |
0 |
0 |
0.008 |
33 |
54 |
|
[ACT]A:611 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23963 |
60.6 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
[ACT]A:617 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
24026 |
60.0 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[HEC]A:603 |
4 |
1 |
852 |
f |
[HEC]A:602 |
x,y,z |
1_555 |
6 |
1 |
830 |
57.2 |
-1.8 |
0.789 |
0 |
0 |
0 |
0.008 |
57 |
|
[HEC]B:603 |
4 |
1 |
851 |
f |
[HEC]B:602 |
x,y,z |
1_555 |
6 |
1 |
827 |
56.5 |
-1.8 |
0.793 |
0 |
0 |
0 |
0.008 |
Average: |
56.9 |
-1.8 |
0.791 |
0 |
0 |
0 |
0.008 |
36 |
58 |
|
[HEC]A:607 |
8 |
1 |
848 |
f |
[HEC]A:606 |
x,y,z |
1_555 |
5 |
1 |
829 |
51.7 |
-1.6 |
0.869 |
0 |
0 |
0 |
0.007 |
59 |
|
[HEC]B:607 |
8 |
1 |
849 |
f |
[HEC]B:606 |
x,y,z |
1_555 |
5 |
1 |
828 |
51.3 |
-1.6 |
0.877 |
0 |
0 |
0 |
0.007 |
Average: |
51.5 |
-1.6 |
0.873 |
0 |
0 |
0 |
0.007 |
37 |
60 |
|
[TRS]A:615 |
5 |
1 |
255 |
f |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
7 |
4 |
24026 |
51.0 |
1.3 |
0.882 |
1 |
0 |
0 |
0.000 |
61 |
|
[TRS]B:614 |
4 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
23963 |
37.6 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
44.3 |
0.6 |
0.656 |
1 |
0 |
0 |
0.001 |
38 |
62 |
|
[TRS]A:615 |
4 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
24026 |
50.4 |
1.4 |
0.871 |
1 |
0 |
0 |
0.000 |
63 |
|
[TRS]B:614 |
4 |
1 |
253 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
6 |
4 |
23963 |
44.0 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
Average: |
47.2 |
0.8 |
0.652 |
1 |
0 |
0 |
0.000 |
39 |
64 |
|
A |
7 |
4 |
24026 |
◊ |
[TRS]A:615 |
z-1/2,-x+1/2,-y+1 |
7_456 |
5 |
1 |
255 |
48.8 |
0.9 |
0.850 |
1 |
0 |
0 |
0.000 |
40 |
65 |
|
[HEC]B:608 |
3 |
1 |
838 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
6 |
2 |
23963 |
48.8 |
-0.4 |
0.705 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[ACT]A:611 |
4 |
1 |
182 |
f |
[HEC]B:607 |
x,y,z |
1_555 |
14 |
1 |
849 |
45.5 |
-1.0 |
0.847 |
0 |
0 |
0 |
0.004 |
42 |
67 |
|
[ACT]A:617 |
4 |
1 |
182 |
f |
[HEC]A:607 |
x,y,z |
1_555 |
12 |
1 |
848 |
45.3 |
-1.0 |
0.846 |
0 |
0 |
0 |
0.004 |
43 |
68 |
|
[CA]B:610 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
23963 |
44.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.059 |
69 |
|
[CA]A:610 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
24026 |
44.5 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
44.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.059 |
44 |
70 |
|
[ACT]A:617 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23963 |
44.3 |
-0.4 |
0.624 |
0 |
0 |
0 |
0.000 |
45 |
71 |
|
B |
6 |
5 |
23963 |
◊ |
[TRS]B:614 |
z-1/2,-x+1/2,-y+1 |
7_456 |
4 |
1 |
253 |
42.4 |
0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
46 |
72 |
|
[ACT]A:611 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
24026 |
42.0 |
-0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
47 |
73 |
|
[HEC]A:608 |
3 |
1 |
837 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
6 |
3 |
23963 |
41.4 |
-0.7 |
0.638 |
0 |
0 |
0 |
0.000 |
48 |
74 |
|
[ACT]A:617 |
4 |
1 |
182 |
f |
[HEC]A:602 |
x,y,z |
1_555 |
3 |
1 |
830 |
32.9 |
-0.3 |
0.772 |
0 |
0 |
0 |
0.001 |
49 |
75 |
|
[ACT]A:611 |
4 |
1 |
182 |
f |
[HEC]B:602 |
x,y,z |
1_555 |
3 |
1 |
827 |
32.4 |
-0.3 |
0.769 |
0 |
0 |
0 |
0.001 |
50 |
76 |
|
[SO3]B:612 |
4 |
1 |
172 |
f |
[HEC]B:606 |
x,y,z |
1_555 |
4 |
1 |
828 |
29.5 |
-1.4 |
0.446 |
0 |
0 |
0 |
0.006 |
51 |
77 |
|
[SO3]A:613 |
4 |
1 |
172 |
f |
[HEC]A:606 |
x,y,z |
1_555 |
4 |
1 |
829 |
28.4 |
-1.4 |
0.451 |
0 |
0 |
0 |
0.006 |
52 |
78 |
|
[SO3]B:612 |
1 |
1 |
172 |
f |
[HEC]B:608 |
x,y,z |
1_555 |
1 |
1 |
838 |
13.3 |
-0.5 |
0.253 |
0 |
0 |
0 |
0.002 |
53 |
79 |
|
[HEC]A:604 |
1 |
1 |
827 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
2 |
1 |
815 |
12.0 |
-0.4 |
0.635 |
0 |
0 |
0 |
0.002 |
80 |
|
[HEC]B:604 |
1 |
1 |
830 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
2 |
1 |
816 |
11.5 |
-0.4 |
0.653 |
0 |
0 |
0 |
0.002 |
Average: |
11.7 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.002 |
54 |
81 |
|
[SO3]A:613 |
1 |
1 |
172 |
f |
[HEC]A:608 |
x,y,z |
1_555 |
1 |
1 |
837 |
11.7 |
-0.5 |
0.253 |
0 |
0 |
0 |
0.002 |
|