## |
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 |
114 |
32 |
24347 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
120 |
32 |
24221 |
1021.2 |
-1.9 |
0.594 |
15 |
0 |
0 |
0.039 |
2 |
2 |
|
B |
107 |
31 |
24347 |
◊ |
A |
x,y,z |
1_555 |
106 |
31 |
24221 |
843.2 |
-9.9 |
0.096 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
29 |
9 |
24347 |
x |
B |
x-y,-y+1,-z |
8_565 |
26 |
9 |
24347 |
264.6 |
-2.0 |
0.335 |
2 |
1 |
0 |
0.000 |
4 |
4 |
|
B |
24 |
7 |
24347 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
27 |
9 |
24221 |
222.4 |
2.8 |
0.877 |
3 |
4 |
0 |
0.000 |
5 |
5 |
|
[AHR]B:717 |
9 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
24347 |
146.5 |
-0.3 |
0.510 |
1 |
0 |
0 |
0.008 |
6 |
|
[AHR]A:720 |
9 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
24221 |
145.0 |
-0.6 |
0.523 |
1 |
0 |
0 |
0.008 |
Average: |
145.8 |
-0.4 |
0.517 |
1 |
0 |
0 |
0.008 |
6 |
7 |
|
[PEG]A:716 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
24221 |
138.4 |
3.4 |
0.381 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[AHR]A:721 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
24221 |
137.2 |
-1.7 |
0.361 |
1 |
0 |
0 |
0.010 |
8 |
9 |
|
[PEG]B:710 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
24347 |
133.1 |
4.3 |
0.466 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[AHR]B:718 |
9 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
24347 |
133.0 |
-1.3 |
0.374 |
2 |
0 |
0 |
0.010 |
10 |
11 |
|
[PEG]B:712 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
24347 |
130.9 |
3.8 |
0.409 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[PEG]B:713 |
7 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
20 |
10 |
24347 |
128.9 |
2.8 |
0.322 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
12 |
5 |
24221 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
12 |
5 |
24221 |
126.1 |
-1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[PEG]A:715 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
24221 |
121.0 |
3.3 |
0.379 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[AHR]A:718 |
8 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
24221 |
120.8 |
-0.2 |
0.548 |
3 |
0 |
0 |
0.017 |
16 |
|
[AHR]B:715 |
9 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
24347 |
111.2 |
-0.9 |
0.472 |
3 |
0 |
0 |
0.017 |
Average: |
116.0 |
-0.6 |
0.510 |
3 |
0 |
0 |
0.017 |
15 |
17 |
|
[PEG]B:711 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
24347 |
118.6 |
5.1 |
0.479 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[PEG]B:709 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
24347 |
117.1 |
3.5 |
0.370 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[PEG]A:714 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
24221 |
113.1 |
2.5 |
0.270 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[SO4]B:708 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
24347 |
108.6 |
-14.1 |
0.499 |
0 |
0 |
0 |
0.064 |
19 |
21 |
|
[AHR]B:716 |
8 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
24347 |
99.8 |
1.9 |
0.679 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[AHR]A:719 |
8 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
24221 |
99.1 |
2.7 |
0.768 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]A:705 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24221 |
96.6 |
-11.3 |
0.888 |
2 |
0 |
0 |
0.055 |
22 |
24 |
|
[AHR]A:723 |
9 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
23 |
5 |
24221 |
93.9 |
-2.2 |
0.277 |
1 |
0 |
0 |
0.012 |
23 |
25 |
|
[AHR]A:722 |
9 |
1 |
248 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
24221 |
92.6 |
0.2 |
0.343 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[AHR]B:719 |
8 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
24347 |
92.3 |
-0.5 |
0.323 |
0 |
0 |
0 |
0.002 |
25 |
27 |
|
[AHR]B:720 |
9 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
25 |
5 |
24347 |
90.7 |
-2.1 |
0.298 |
2 |
0 |
0 |
0.013 |
26 |
28 |
|
[SO4]A:710 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
24221 |
87.0 |
-12.9 |
0.718 |
4 |
0 |
0 |
0.066 |
27 |
29 |
|
B |
13 |
5 |
24347 |
◊ |
[PEG]A:713 |
x-y,x,z+1/6 |
6_555 |
6 |
1 |
261 |
86.2 |
2.4 |
0.304 |
2 |
0 |
0 |
0.000 |
28 |
30 |
|
[SO4]A:704 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
24221 |
86.0 |
-10.3 |
0.817 |
1 |
0 |
0 |
0.048 |
29 |
31 |
|
[SO4]A:712 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
24221 |
84.0 |
-10.9 |
0.896 |
2 |
0 |
0 |
0.053 |
30 |
32 |
|
[SO4]B:705 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24347 |
83.7 |
-10.5 |
0.812 |
1 |
0 |
0 |
0.049 |
31 |
33 |
|
[SO4]B:706 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
24347 |
83.6 |
-12.4 |
0.496 |
3 |
0 |
0 |
0.062 |
32 |
34 |
|
[AHR]A:724 |
8 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
24221 |
82.0 |
0.2 |
0.551 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
13 |
6 |
24347 |
◊ |
[SO4]A:702 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
184 |
81.8 |
-10.2 |
0.817 |
1 |
0 |
0 |
0.048 |
34 |
36 |
|
[AHR]B:719 |
9 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
24221 |
79.6 |
-1.2 |
0.333 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[SO4]B:707 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
24347 |
79.2 |
-11.2 |
0.709 |
2 |
0 |
0 |
0.055 |
36 |
38 |
|
[SO4]A:711 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
24221 |
75.5 |
-10.0 |
0.912 |
3 |
0 |
0 |
0.051 |
37 |
39 |
|
B |
11 |
5 |
24347 |
f |
[SO4]A:704 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
185 |
73.4 |
-10.3 |
0.817 |
3 |
0 |
0 |
0.053 |
38 |
40 |
|
[AHR]B:720 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
24221 |
72.5 |
0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[SO4]A:708 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24221 |
72.4 |
-10.4 |
0.730 |
3 |
0 |
0 |
0.053 |
40 |
42 |
|
[SO4]A:702 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24221 |
71.8 |
-10.1 |
0.774 |
3 |
0 |
0 |
0.052 |
41 |
43 |
|
[AHR]A:722 |
8 |
1 |
248 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
24347 |
70.7 |
-0.5 |
0.358 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[SO4]B:704 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
24347 |
70.7 |
-8.5 |
0.890 |
2 |
0 |
0 |
0.043 |
43 |
45 |
|
[SO4]B:702 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24347 |
68.7 |
-8.8 |
0.886 |
2 |
0 |
0 |
0.044 |
44 |
46 |
|
[AHR]A:723 |
8 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
24347 |
68.6 |
0.3 |
0.357 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[SO4]B:703 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
24347 |
63.9 |
-8.9 |
0.651 |
1 |
0 |
0 |
0.042 |
46 |
48 |
|
[SO4]A:706 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24221 |
63.8 |
-8.4 |
0.861 |
3 |
0 |
0 |
0.044 |
47 |
49 |
|
[SO4]A:701 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24221 |
63.3 |
-7.7 |
0.908 |
3 |
0 |
0 |
0.041 |
48 |
50 |
|
[SO4]A:707 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
24221 |
61.3 |
-8.4 |
0.700 |
1 |
0 |
0 |
0.040 |
49 |
51 |
|
[AHR]B:721 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
24347 |
60.9 |
0.6 |
0.541 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[AHR]B:714 |
6 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
24347 |
60.0 |
0.9 |
0.651 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[AHR]A:717 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
24221 |
59.2 |
0.8 |
0.617 |
1 |
0 |
0 |
0.000 |
52 |
54 |
|
[SO4]B:701 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
24347 |
58.8 |
-7.8 |
0.712 |
1 |
0 |
0 |
0.037 |
53 |
55 |
|
[PEG]A:713 |
4 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
24221 |
55.3 |
1.1 |
0.324 |
1 |
0 |
0 |
0.000 |
54 |
56 |
|
[AHR]B:716 |
2 |
1 |
258 |
cf |
[AHR]B:715 |
x,y,z |
1_555 |
4 |
1 |
257 |
52.7 |
0.8 |
0.540 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[AHR]A:724 |
6 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24347 |
50.3 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[AHR]A:719 |
2 |
1 |
259 |
cf |
[AHR]A:718 |
x,y,z |
1_555 |
4 |
1 |
262 |
50.2 |
1.0 |
0.573 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[AHR]B:715 |
4 |
1 |
257 |
cf |
[AHR]B:714 |
x,y,z |
1_555 |
4 |
1 |
261 |
50.2 |
1.0 |
0.563 |
0 |
0 |
0 |
0.000 |
58 |
60 |
|
[AHR]B:721 |
6 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
24221 |
50.1 |
0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[AHR]A:718 |
4 |
1 |
262 |
cf |
[AHR]A:717 |
x,y,z |
1_555 |
5 |
1 |
260 |
49.8 |
1.0 |
0.542 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[SO4]A:709 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
24221 |
49.5 |
-6.0 |
0.850 |
1 |
0 |
0 |
0.029 |
61 |
63 |
|
[AHR]B:721 |
3 |
1 |
270 |
cf |
[AHR]B:720 |
x,y,z |
1_555 |
4 |
1 |
258 |
47.9 |
0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[AHR]A:720 |
4 |
1 |
261 |
cf |
[AHR]A:719 |
x,y,z |
1_555 |
5 |
1 |
259 |
47.6 |
0.9 |
0.590 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[AHR]B:717 |
4 |
1 |
262 |
cf |
[AHR]B:716 |
x,y,z |
1_555 |
4 |
1 |
258 |
46.8 |
0.9 |
0.555 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[AHR]A:724 |
2 |
1 |
276 |
cf |
[AHR]A:723 |
x,y,z |
1_555 |
4 |
1 |
255 |
46.0 |
0.5 |
0.539 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[AHR]A:722 |
5 |
1 |
248 |
cf |
[AHR]A:721 |
x,y,z |
1_555 |
6 |
1 |
265 |
43.8 |
0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
[AHR]B:718 |
4 |
1 |
257 |
cf |
[AHR]B:717 |
x,y,z |
1_555 |
4 |
1 |
262 |
43.0 |
0.6 |
0.556 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[AHR]B:719 |
6 |
1 |
260 |
cf |
[AHR]B:718 |
x,y,z |
1_555 |
5 |
1 |
257 |
41.2 |
0.6 |
0.538 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[AHR]A:723 |
4 |
1 |
255 |
cf |
[AHR]A:722 |
x,y,z |
1_555 |
5 |
1 |
248 |
41.0 |
0.8 |
0.513 |
0 |
0 |
0 |
0.000 |
69 |
71 |
|
[AHR]B:720 |
4 |
1 |
258 |
cf |
[AHR]B:719 |
x,y,z |
1_555 |
5 |
1 |
260 |
40.9 |
0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
70 |
72 |
|
[AHR]A:721 |
2 |
1 |
265 |
cf |
[AHR]A:720 |
x,y,z |
1_555 |
4 |
1 |
261 |
40.0 |
0.7 |
0.618 |
0 |
0 |
0 |
0.000 |
71 |
73 |
|
[SO4]A:703 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
24221 |
39.6 |
-3.5 |
0.906 |
1 |
0 |
0 |
0.018 |
72 |
74 |
|
B |
4 |
2 |
24347 |
f |
[SO4]A:703 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
185 |
33.1 |
-4.1 |
0.778 |
1 |
0 |
0 |
0.021 |
73 |
75 |
|
[AHR]B:718 |
6 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
24221 |
31.9 |
0.8 |
0.655 |
0 |
0 |
0 |
0.000 |
74 |
76 |
|
[AHR]A:721 |
6 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
24347 |
31.1 |
0.8 |
0.703 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[PEG]B:713 |
1 |
1 |
265 |
f |
B |
x-y,-y+1,-z |
8_565 |
2 |
2 |
24347 |
12.9 |
-0.1 |
0.284 |
0 |
0 |
0 |
0.000 |
76 |
78 |
|
[SO4]B:708 |
1 |
1 |
185 |
f |
[SO4]B:701 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.8 |
-2.8 |
0.800 |
0 |
0 |
0 |
0.013 |
77 |
79 |
|
[AHR]B:717 |
1 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24221 |
2.9 |
0.0 |
0.400 |
0 |
0 |
0 |
0.000 |
80 |
|
[AHR]A:720 |
1 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24347 |
2.0 |
0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
0.0 |
0.413 |
0 |
0 |
0 |
0.000 |
78 |
81 |
|
[AHR]A:723 |
1 |
1 |
255 |
f |
[AHR]A:721 |
x,y,z |
1_555 |
2 |
1 |
265 |
2.8 |
0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
79 |
82 |
|
[AHR]A:721 |
1 |
1 |
265 |
f |
[AHR]A:719 |
x,y,z |
1_555 |
1 |
1 |
259 |
0.8 |
0.0 |
0.444 |
0 |
0 |
0 |
0.000 |
80 |
83 |
|
[SO4]A:703 |
1 |
1 |
185 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
1 |
1 |
24347 |
0.2 |
-0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
|