## |
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 |
|
[HEC]D:201 |
43 |
1 |
827 |
cf |
D |
x,y,z |
1_555 |
73 |
20 |
6415 |
558.3 |
-19.4 |
0.357 |
1 |
0 |
0 |
0.279 |
2 |
|
[HEC]B:201 |
43 |
1 |
820 |
cf |
B |
x,y,z |
1_555 |
76 |
21 |
6631 |
555.8 |
-19.3 |
0.361 |
1 |
0 |
0 |
0.279 |
3 |
|
[HEC]A:201 |
43 |
1 |
821 |
cf |
A |
x,y,z |
1_555 |
69 |
22 |
6397 |
547.0 |
-20.0 |
0.218 |
1 |
0 |
0 |
0.279 |
4 |
|
[HEC]C:201 |
43 |
1 |
820 |
cf |
C |
x,y,z |
1_555 |
72 |
22 |
6467 |
540.4 |
-19.8 |
0.246 |
1 |
0 |
0 |
0.279 |
Average: |
550.4 |
-19.6 |
0.296 |
1 |
0 |
0 |
0.279 |
2 |
5 |
|
B |
62 |
16 |
6631 |
x |
B |
-y+1,x-y+1,z |
2_665 |
65 |
16 |
6631 |
536.5 |
-5.7 |
0.339 |
5 |
0 |
0 |
0.021 |
3 |
6 |
|
C |
47 |
13 |
6467 |
◊ |
C |
-x,-x+y,-z |
6_555 |
46 |
12 |
6467 |
459.6 |
4.1 |
0.903 |
10 |
4 |
0 |
0.000 |
4 |
7 |
|
C |
47 |
13 |
6467 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
6397 |
384.6 |
-3.1 |
0.410 |
5 |
2 |
0 |
0.041 |
8 |
|
D |
43 |
12 |
6415 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
6397 |
368.3 |
-3.6 |
0.370 |
3 |
2 |
0 |
0.041 |
9 |
|
D |
47 |
12 |
6415 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
6467 |
365.4 |
-2.5 |
0.478 |
4 |
2 |
0 |
0.041 |
Average: |
372.8 |
-3.0 |
0.419 |
4 |
2 |
0 |
0.041 |
5 |
10 |
|
B |
36 |
10 |
6631 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
6397 |
329.4 |
2.1 |
0.825 |
5 |
10 |
0 |
0.011 |
6 |
11 |
|
D |
34 |
10 |
6415 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
35 |
10 |
6467 |
302.1 |
0.7 |
0.739 |
3 |
8 |
0 |
0.011 |
7 |
12 |
|
D |
20 |
7 |
6415 |
◊ |
D |
y,x,-z |
4_555 |
20 |
7 |
6415 |
191.7 |
1.2 |
0.791 |
2 |
4 |
0 |
0.000 |
8 |
13 |
|
B |
18 |
6 |
6631 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
23 |
6 |
6397 |
158.7 |
2.8 |
0.882 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
14 |
6 |
6415 |
x |
D |
-y+1,x-y+1,z |
2_665 |
16 |
4 |
6415 |
146.3 |
-0.4 |
0.594 |
3 |
2 |
0 |
0.010 |
15 |
|
A |
11 |
5 |
6397 |
x |
B |
-y+1,x-y+1,z |
2_665 |
12 |
5 |
6631 |
95.2 |
-1.4 |
0.363 |
1 |
0 |
0 |
0.010 |
Average: |
120.8 |
-0.9 |
0.478 |
2 |
1 |
0 |
0.010 |
10 |
16 |
|
A |
16 |
4 |
6397 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
15 |
5 |
6467 |
136.5 |
-0.6 |
0.539 |
0 |
1 |
0 |
0.002 |
11 |
17 |
|
C |
14 |
4 |
6467 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
6631 |
132.8 |
-1.3 |
0.401 |
2 |
2 |
0 |
0.007 |
12 |
18 |
|
[1PE]C:205 |
11 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
6467 |
126.2 |
-1.1 |
0.474 |
0 |
0 |
0 |
0.003 |
13 |
19 |
|
[1PE]C:205 |
9 |
1 |
418 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
6415 |
118.5 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
A |
16 |
9 |
6397 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
16 |
9 |
6397 |
112.1 |
3.9 |
0.947 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[1PE]C:205 |
9 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
6397 |
101.1 |
-2.3 |
0.363 |
0 |
0 |
0 |
0.016 |
16 |
22 |
|
C |
8 |
2 |
6467 |
◊ |
A |
-x,-x+y,-z |
6_555 |
10 |
3 |
6397 |
75.1 |
-0.2 |
0.577 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[HAE]B:203 |
5 |
1 |
206 |
cf |
B |
x,y,z |
1_555 |
7 |
6 |
6631 |
72.1 |
1.3 |
0.247 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[HAE]A:204 |
5 |
1 |
205 |
cf |
A |
x,y,z |
1_555 |
10 |
6 |
6397 |
71.1 |
1.1 |
0.261 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[HAE]B:204 |
4 |
1 |
206 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
6631 |
70.6 |
1.1 |
0.157 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[HAE]D:206 |
4 |
1 |
205 |
cf |
D |
x,y,z |
1_555 |
8 |
5 |
6415 |
69.0 |
1.1 |
0.215 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[HAE]C:204 |
4 |
1 |
205 |
cf |
C |
x,y,z |
1_555 |
7 |
5 |
6467 |
61.9 |
0.4 |
0.133 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[HEC]B:201 |
5 |
1 |
820 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
6 |
2 |
6397 |
58.6 |
-1.3 |
0.688 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[HAE]D:205 |
4 |
1 |
206 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
6415 |
56.4 |
0.8 |
0.179 |
0 |
0 |
0 |
0.000 |
30 |
|
[HAE]A:203 |
4 |
1 |
204 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
6397 |
53.6 |
0.5 |
0.162 |
0 |
0 |
0 |
0.000 |
Average: |
55.0 |
0.6 |
0.170 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[HAE]B:204 |
4 |
1 |
206 |
x |
[FE]B:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
50.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.065 |
32 |
|
[HAE]D:206 |
4 |
1 |
205 |
x |
[FE]D:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
49.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.065 |
33 |
|
[HAE]C:203 |
4 |
1 |
205 |
x |
[FE]D:207 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
34 |
|
[HAE]D:205 |
4 |
1 |
206 |
x |
[FE]D:207 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.065 |
35 |
|
[HAE]A:203 |
4 |
1 |
204 |
x |
[FE]D:207 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
36 |
|
[HAE]C:204 |
4 |
1 |
205 |
x |
[FE]A:206 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.065 |
37 |
|
[HAE]A:204 |
4 |
1 |
205 |
x |
[FE]A:206 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
31.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.065 |
38 |
|
[HAE]B:203 |
4 |
1 |
206 |
x |
[FE]A:206 |
x,y,z |
1_555 |
1 |
1 |
137 |
31.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
37.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.065 |
25 |
39 |
|
[HAE]C:203 |
4 |
1 |
205 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
6467 |
49.7 |
0.4 |
0.183 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[HAE]C:203 |
5 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6397 |
44.7 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[HAE]A:203 |
5 |
1 |
204 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
6415 |
43.8 |
-0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
42 |
|
[HAE]D:205 |
5 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
6467 |
35.9 |
0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
Average: |
39.9 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[ZN]D:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6415 |
41.7 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.305 |
44 |
|
[ZN]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6397 |
41.4 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.305 |
45 |
|
[ZN]D:208 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6467 |
41.0 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.305 |
Average: |
41.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.305 |
29 |
46 |
|
[HAE]B:204 |
4 |
1 |
206 |
x |
[HAE]B:204 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
206 |
38.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[HAE]D:206 |
4 |
1 |
205 |
x |
[HAE]D:206 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
205 |
36.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[HAE]D:205 |
4 |
1 |
206 |
x |
[HAE]A:203 |
x,y,z |
1_555 |
4 |
1 |
204 |
31.5 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[HAE]D:205 |
4 |
1 |
206 |
x |
[HAE]C:203 |
x,y,z |
1_555 |
4 |
1 |
205 |
30.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.9 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6467 |
36.2 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.254 |
51 |
|
[ZN]A:207 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6397 |
35.6 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.254 |
52 |
|
[ZN]D:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
6415 |
35.4 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.254 |
53 |
|
[ZN]A:205 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6631 |
35.0 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.254 |
Average: |
35.5 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.254 |
32 |
54 |
|
D |
7 |
2 |
6415 |
f |
[ZN]C:202 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
98 |
36.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.285 |
55 |
|
[ZN]A:205 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6397 |
35.8 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.285 |
56 |
|
[ZN]D:202 |
1 |
1 |
98 |
f |
C |
-y+1,x-y+1,z |
2_665 |
5 |
2 |
6467 |
35.6 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.285 |
57 |
|
[ZN]A:207 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
6631 |
34.7 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
35.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.285 |
33 |
58 |
|
[HAE]A:204 |
5 |
1 |
205 |
◊ |
[HAE]C:204 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
205 |
34.4 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
D |
3 |
2 |
6415 |
◊ |
[HAE]D:206 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
205 |
34.2 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[HAE]C:203 |
4 |
1 |
205 |
◊ |
[HAE]A:203 |
x,y,z |
1_555 |
4 |
1 |
204 |
32.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6467 |
31.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.098 |
62 |
|
[ZN]D:208 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6415 |
31.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.098 |
63 |
|
[ZN]D:203 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6397 |
30.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
31.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.098 |
37 |
64 |
|
[HAE]A:204 |
4 |
1 |
205 |
◊ |
[HAE]B:203 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
206 |
31.2 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
D |
2 |
1 |
6415 |
◊ |
D |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
2 |
1 |
6415 |
31.1 |
1.5 |
0.947 |
0 |
0 |
0 |
0.000 |
39 |
66 |
|
[FE]A:206 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
4 |
4 |
6631 |
29.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
67 |
|
[FE]D:204 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
6415 |
23.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.023 |
68 |
|
A |
3 |
3 |
6397 |
x |
[FE]A:206 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
18.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.023 |
69 |
|
[FE]A:206 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
2 |
1 |
6467 |
16.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
22.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.023 |
40 |
70 |
|
A |
5 |
2 |
6397 |
◊ |
[HAE]B:203 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
206 |
29.2 |
0.7 |
0.807 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
[HAE]C:204 |
4 |
1 |
205 |
◊ |
[HAE]B:203 |
x,y,z |
1_555 |
3 |
1 |
206 |
27.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[HAE]C:204 |
3 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6631 |
26.7 |
0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
43 |
73 |
|
A |
2 |
1 |
6397 |
◊ |
[HAE]C:204 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
205 |
20.3 |
-0.7 |
0.150 |
0 |
0 |
0 |
0.002 |
44 |
74 |
|
[HAE]A:204 |
2 |
1 |
205 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
2 |
2 |
6467 |
17.9 |
0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
45 |
75 |
|
[FE]D:207 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
3 |
3 |
6415 |
16.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
76 |
|
[FE]D:207 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
2 |
2 |
6397 |
15.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
77 |
|
[FE]D:207 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
2 |
2 |
6467 |
12.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
78 |
|
[FE]B:202 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
6631 |
8.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
13.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
46 |
79 |
|
[HAE]D:206 |
1 |
1 |
205 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
6415 |
15.7 |
-0.5 |
0.144 |
0 |
0 |
0 |
0.001 |
47 |
80 |
|
[HAE]A:204 |
2 |
1 |
205 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
6631 |
13.8 |
-0.5 |
0.155 |
0 |
0 |
0 |
0.001 |
48 |
81 |
|
[HAE]B:203 |
2 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6467 |
9.8 |
-0.3 |
0.365 |
0 |
0 |
0 |
0.000 |
49 |
82 |
|
[HAE]C:203 |
1 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6415 |
4.9 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
50 |
83 |
|
B |
2 |
2 |
6631 |
◊ |
B |
-x+2/3,-x+y+1/3,-z-2/3 |
12_554 |
2 |
2 |
6631 |
4.3 |
-0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
51 |
84 |
|
[HAE]A:203 |
1 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6467 |
1.7 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
85 |
|
[HAE]D:205 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6397 |
1.7 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
52 |
86 |
|
[HEC]A:201 |
1 |
1 |
821 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
1 |
1 |
6397 |
0.5 |
0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
|