## |
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 |
|
G |
81 |
20 |
5778 |
◊ |
C |
x,y,z |
1_555 |
81 |
21 |
5990 |
703.3 |
-11.6 |
0.117 |
4 |
0 |
0 |
0.109 |
2 |
|
B |
85 |
21 |
5951 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
5995 |
691.4 |
-11.3 |
0.125 |
3 |
0 |
0 |
0.109 |
3 |
|
H |
79 |
22 |
5830 |
◊ |
D |
x,y,z |
1_555 |
78 |
21 |
5825 |
666.3 |
-12.3 |
0.131 |
2 |
0 |
0 |
0.109 |
4 |
|
F |
80 |
20 |
6088 |
◊ |
E |
x,y,z |
1_555 |
76 |
21 |
5810 |
663.0 |
-11.9 |
0.096 |
2 |
0 |
0 |
0.109 |
Average: |
681.0 |
-11.8 |
0.117 |
3 |
0 |
0 |
0.109 |
2 |
5 |
|
H |
43 |
16 |
5830 |
◊ |
E |
-y+1,x-y+1,z+1/3 |
2_665 |
46 |
18 |
5810 |
400.2 |
-1.0 |
0.729 |
4 |
0 |
0 |
0.000 |
6 |
|
C |
43 |
17 |
5990 |
◊ |
B |
x-y,x,z-5/6 |
6_554 |
39 |
14 |
5951 |
360.7 |
-1.5 |
0.597 |
4 |
0 |
0 |
0.000 |
7 |
|
F |
41 |
14 |
6088 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
41 |
15 |
5995 |
359.1 |
-1.6 |
0.600 |
3 |
0 |
0 |
0.000 |
Average: |
373.3 |
-1.4 |
0.642 |
4 |
0 |
0 |
0.000 |
3 |
8 |
|
F |
36 |
12 |
6088 |
◊ |
G |
x-y,x,z+1/6 |
6_555 |
37 |
13 |
5778 |
341.6 |
-0.9 |
0.663 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
D |
29 |
11 |
5825 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
5995 |
306.6 |
-0.0 |
0.709 |
1 |
1 |
0 |
0.002 |
5 |
10 |
|
C |
33 |
10 |
5990 |
◊ |
D |
x-y,x,z-5/6 |
6_554 |
32 |
10 |
5825 |
303.5 |
-1.0 |
0.578 |
2 |
0 |
0 |
0.011 |
6 |
11 |
|
H |
32 |
9 |
5830 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
5951 |
300.2 |
-3.3 |
0.424 |
4 |
2 |
0 |
0.043 |
7 |
12 |
|
H |
23 |
9 |
5830 |
◊ |
G |
-y+1,x-y+1,z+1/3 |
2_665 |
31 |
11 |
5778 |
250.0 |
-1.0 |
0.621 |
0 |
1 |
0 |
0.000 |
8 |
13 |
|
F |
23 |
6 |
6088 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
5995 |
223.1 |
-1.3 |
0.506 |
1 |
0 |
0 |
0.011 |
9 |
14 |
|
E |
24 |
9 |
5810 |
◊ |
D |
-x,-y+1,z-1/2 |
4_564 |
21 |
5 |
5825 |
197.7 |
0.7 |
0.786 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
20 |
6 |
5990 |
x |
C |
x-y,x,z+1/6 |
6_555 |
17 |
5 |
5990 |
164.1 |
2.0 |
0.866 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
F |
16 |
5 |
6088 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
5951 |
150.5 |
-0.6 |
0.575 |
1 |
0 |
0 |
0.004 |
12 |
17 |
|
H |
17 |
7 |
5830 |
◊ |
F |
x-y+1,x+1,z+1/6 |
6_665 |
19 |
7 |
6088 |
148.0 |
2.3 |
0.868 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
B |
18 |
8 |
5951 |
◊ |
H |
x-y,x,z+1/6 |
6_555 |
15 |
6 |
5830 |
119.2 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
G |
12 |
6 |
5778 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
5810 |
111.4 |
-0.7 |
0.519 |
0 |
0 |
0 |
0.001 |
15 |
20 |
|
[ACT]C:114 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
5990 |
100.3 |
-0.5 |
0.610 |
3 |
0 |
0 |
0.012 |
16 |
21 |
|
[ACT]B:112 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
5951 |
99.0 |
-0.5 |
0.654 |
3 |
0 |
0 |
0.016 |
17 |
22 |
|
[ACT]F:112 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
6088 |
98.8 |
-1.3 |
0.379 |
3 |
0 |
0 |
0.017 |
18 |
23 |
|
[ACT]E:111 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
5810 |
98.1 |
-0.2 |
0.703 |
2 |
0 |
0 |
0.004 |
19 |
24 |
|
[ACT]A:112 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
5995 |
93.4 |
-1.3 |
0.451 |
2 |
0 |
0 |
0.014 |
20 |
25 |
|
G |
7 |
4 |
5778 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
5995 |
89.6 |
1.1 |
0.817 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[ACT]D:112 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
5825 |
88.8 |
-0.9 |
0.552 |
2 |
0 |
0 |
0.015 |
22 |
27 |
|
[MES]E:112 |
7 |
1 |
330 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
5810 |
82.3 |
1.4 |
0.066 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[MES]E:112 |
7 |
1 |
330 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
6088 |
72.2 |
1.8 |
0.101 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
C |
5 |
2 |
5990 |
◊ |
G |
x-y,x,z+1/6 |
6_555 |
7 |
3 |
5778 |
72.1 |
-1.5 |
0.192 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
B |
8 |
4 |
5951 |
x |
B |
x-y,x,z+1/6 |
6_555 |
7 |
4 |
5951 |
71.5 |
0.9 |
0.823 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[MES]E:112 |
7 |
1 |
330 |
◊ |
D |
-x,-y+1,z-1/2 |
4_564 |
8 |
4 |
5825 |
71.0 |
2.8 |
0.190 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[ACT]A:113 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
5995 |
71.0 |
0.2 |
0.757 |
1 |
0 |
0 |
0.002 |
28 |
33 |
|
[ACT]F:113 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
6088 |
64.8 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
H |
6 |
3 |
5830 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
10 |
6 |
5995 |
62.5 |
-1.3 |
0.289 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[ACT]D:111 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5995 |
61.5 |
-1.1 |
0.480 |
0 |
0 |
0 |
0.004 |
31 |
36 |
|
[ACT]A:113 |
3 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
5778 |
60.1 |
-0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[ACT]D:111 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5825 |
60.0 |
0.5 |
0.799 |
2 |
0 |
0 |
0.003 |
33 |
38 |
|
G |
5 |
2 |
5778 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
6088 |
59.8 |
-0.2 |
0.521 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[ZN]G:111 |
1 |
1 |
98 |
cf |
G |
x,y,z |
1_555 |
10 |
4 |
5778 |
51.8 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.447 |
40 |
|
[ZN]A:110 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
5995 |
40.9 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.447 |
41 |
|
[ZN]E:110 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
5810 |
40.4 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.447 |
42 |
|
[ZN]F:110 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
7 |
4 |
6088 |
39.7 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.447 |
43 |
|
[ZN]C:112 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
5990 |
39.1 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.447 |
44 |
|
[ZN]B:110 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
5951 |
38.8 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.447 |
45 |
|
[ZN]H:110 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
5830 |
37.9 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.447 |
46 |
|
[ZN]D:110 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
5825 |
29.2 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.447 |
Average: |
39.7 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.447 |
35 |
47 |
|
E |
8 |
4 |
5810 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5990 |
49.5 |
1.3 |
0.880 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[ZN]C:113 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
5990 |
47.8 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.276 |
49 |
|
[ZN]H:111 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
5830 |
43.8 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.276 |
50 |
|
[ZN]A:111 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
5995 |
38.3 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.276 |
51 |
|
[ZN]A:115 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
5778 |
35.9 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
41.5 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.276 |
37 |
52 |
|
[ZN]C:111 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
5990 |
42.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.245 |
53 |
|
[ZN]C:110 |
1 |
1 |
98 |
f |
D |
x-y,x,z-5/6 |
6_554 |
9 |
3 |
5825 |
41.3 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.245 |
54 |
|
[ZN]B:111 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
5951 |
34.4 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.245 |
Average: |
39.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.245 |
38 |
55 |
|
[ZN]A:115 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5995 |
39.0 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.129 |
39 |
56 |
|
[ACT]D:112 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
5995 |
38.8 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
[ZN]C:111 |
1 |
1 |
98 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
5 |
2 |
5990 |
37.4 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
[ACT]F:113 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5995 |
36.6 |
0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
42 |
59 |
|
[ZN]A:114 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
6088 |
35.4 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.109 |
43 |
60 |
|
[ZN]C:110 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5990 |
34.3 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.097 |
44 |
61 |
|
[ZN]H:110 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
5951 |
33.7 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.123 |
45 |
62 |
|
[ACT]A:112 |
3 |
1 |
182 |
f |
[ZN]A:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.313 |
63 |
|
[ACT]A:113 |
3 |
1 |
183 |
f |
[ZN]A:111 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.313 |
64 |
|
[ACT]F:112 |
3 |
1 |
183 |
f |
[ZN]F:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.313 |
65 |
|
[ACT]E:111 |
3 |
1 |
183 |
f |
[ZN]E:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.313 |
66 |
|
[ACT]C:114 |
3 |
1 |
183 |
f |
[ZN]C:112 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.313 |
67 |
|
[ACT]F:113 |
3 |
1 |
182 |
f |
[ZN]A:114 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.313 |
68 |
|
[ACT]B:112 |
3 |
1 |
183 |
f |
[ZN]B:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.313 |
69 |
|
[ACT]D:112 |
3 |
1 |
182 |
f |
[ZN]D:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.313 |
70 |
|
[ACT]D:111 |
3 |
1 |
182 |
f |
[ZN]D:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.313 |
Average: |
28.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.313 |
46 |
71 |
|
[ZN]A:114 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5995 |
27.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
72 |
|
D |
5 |
3 |
5825 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
5951 |
26.9 |
0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
48 |
73 |
|
B |
5 |
3 |
5951 |
◊ |
[ZN]H:111 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
98 |
25.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.098 |
49 |
74 |
|
[ACT]D:112 |
3 |
1 |
182 |
f |
[ACT]D:111 |
x,y,z |
1_555 |
3 |
1 |
182 |
21.5 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
50 |
75 |
|
C |
3 |
3 |
5990 |
◊ |
H |
x-y,x,z-5/6 |
6_554 |
5 |
2 |
5830 |
20.3 |
0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
51 |
76 |
|
G |
2 |
1 |
5778 |
◊ |
H |
x-y,x,z-5/6 |
6_554 |
5 |
2 |
5830 |
19.3 |
0.7 |
0.835 |
0 |
0 |
0 |
0.000 |
52 |
77 |
|
[ZN]B:111 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
5995 |
19.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.053 |
78 |
|
[ZN]C:110 |
1 |
1 |
98 |
◊ |
H |
x-y,x,z-5/6 |
6_554 |
2 |
1 |
5830 |
8.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
13.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.053 |
53 |
79 |
|
D |
3 |
2 |
5825 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
2 |
5995 |
18.4 |
-0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
54 |
80 |
|
[ZN]A:111 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
5778 |
16.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.039 |
55 |
81 |
|
G |
2 |
1 |
5778 |
◊ |
E |
-x,-y+1,z-1/2 |
4_564 |
2 |
2 |
5810 |
9.4 |
-0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
56 |
82 |
|
F |
2 |
1 |
6088 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
5951 |
9.0 |
0.3 |
0.802 |
0 |
0 |
0 |
0.000 |
83 |
|
H |
1 |
1 |
5830 |
◊ |
F |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
6088 |
2.8 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
5.9 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
57 |
84 |
|
[ZN]D:110 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5995 |
8.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.012 |
58 |
85 |
|
D |
2 |
1 |
5825 |
x |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
5825 |
2.5 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
59 |
86 |
|
[ACT]F:113 |
2 |
1 |
182 |
◊ |
[ZN]A:110 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
60 |
87 |
|
F |
1 |
1 |
6088 |
◊ |
D |
-x,-y+1,z-1/2 |
4_564 |
1 |
1 |
5825 |
1.2 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
61 |
88 |
|
G |
1 |
1 |
5778 |
◊ |
D |
x-y,x,z-5/6 |
6_554 |
1 |
1 |
5825 |
1.0 |
-0.0 |
0.508 |
0 |
0 |
0 |
0.000 |
62 |
89 |
|
[ZN]A:111 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6088 |
0.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|