## |
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 |
|
F |
150 |
42 |
14607 |
◊ |
F |
-x+1,-y+1,z |
4_665 |
150 |
42 |
14607 |
1463.2 |
-22.3 |
0.004 |
8 |
10 |
0 |
0.520 |
2 |
|
B |
144 |
40 |
14606 |
◊ |
A |
x,y,z |
1_555 |
142 |
39 |
14686 |
1425.2 |
-21.5 |
0.004 |
11 |
10 |
0 |
0.520 |
3 |
|
D |
147 |
38 |
14605 |
◊ |
C |
x,y,z |
1_555 |
146 |
40 |
14697 |
1421.1 |
-21.8 |
0.004 |
8 |
11 |
0 |
0.520 |
4 |
|
E |
144 |
41 |
14726 |
◊ |
E |
-x+1,-y+1,z |
4_665 |
143 |
41 |
14726 |
1414.9 |
-21.1 |
0.004 |
12 |
10 |
0 |
0.520 |
Average: |
1431.1 |
-21.7 |
0.004 |
10 |
10 |
0 |
0.520 |
2 |
5 |
|
D |
71 |
24 |
14605 |
◊ |
A |
x,y,z |
1_555 |
69 |
24 |
14686 |
593.6 |
2.0 |
0.724 |
6 |
2 |
0 |
0.000 |
6 |
|
F |
66 |
22 |
14607 |
◊ |
E |
x,y,z |
1_555 |
69 |
24 |
14726 |
573.6 |
1.4 |
0.696 |
7 |
2 |
0 |
0.000 |
7 |
|
C |
64 |
22 |
14697 |
◊ |
B |
x,y,z |
1_555 |
67 |
24 |
14606 |
572.7 |
1.8 |
0.720 |
7 |
2 |
0 |
0.000 |
Average: |
580.0 |
1.7 |
0.713 |
7 |
2 |
0 |
0.000 |
3 |
8 |
|
C |
43 |
14 |
14697 |
◊ |
C |
-y+1,-x+1,-z-2/3 |
10_664 |
42 |
14 |
14697 |
370.7 |
0.8 |
0.658 |
2 |
2 |
0 |
0.000 |
9 |
|
E |
30 |
12 |
14726 |
◊ |
E |
-x+y+1,y,-z |
11_655 |
31 |
12 |
14726 |
316.8 |
0.9 |
0.674 |
4 |
2 |
0 |
0.000 |
10 |
|
A |
34 |
14 |
14686 |
◊ |
A |
x,x-y+1,-z-1/3 |
12_564 |
38 |
14 |
14686 |
316.7 |
0.1 |
0.583 |
2 |
2 |
0 |
0.000 |
Average: |
334.7 |
0.6 |
0.638 |
3 |
2 |
0 |
0.000 |
4 |
11 |
|
D |
41 |
12 |
14605 |
◊ |
D |
y,x,-z-2/3 |
7_554 |
43 |
12 |
14605 |
359.2 |
-3.3 |
0.278 |
4 |
6 |
0 |
0.000 |
12 |
|
F |
38 |
12 |
14607 |
◊ |
B |
x,y,z |
1_555 |
39 |
12 |
14606 |
321.6 |
-3.2 |
0.276 |
4 |
6 |
0 |
0.000 |
Average: |
340.4 |
-3.2 |
0.277 |
4 |
6 |
0 |
0.000 |
5 |
13 |
|
E |
32 |
11 |
14726 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
31 |
10 |
14697 |
312.2 |
-3.3 |
0.223 |
2 |
2 |
0 |
0.000 |
14 |
|
A |
30 |
9 |
14686 |
◊ |
A |
-x+2,-x+y+1,-z-1/3 |
9_764 |
30 |
9 |
14686 |
307.1 |
-2.8 |
0.255 |
2 |
2 |
0 |
0.000 |
Average: |
309.7 |
-3.0 |
0.239 |
2 |
2 |
0 |
0.000 |
6 |
15 |
|
D |
27 |
12 |
14605 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
14606 |
277.5 |
0.0 |
0.593 |
2 |
0 |
0 |
0.000 |
16 |
|
F |
23 |
10 |
14607 |
◊ |
E |
-x+1,-y+1,z |
4_665 |
25 |
11 |
14726 |
199.6 |
0.4 |
0.635 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
15 |
6 |
14697 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
14686 |
158.4 |
1.3 |
0.754 |
2 |
0 |
0 |
0.000 |
Average: |
211.8 |
0.6 |
0.661 |
2 |
0 |
0 |
0.000 |
7 |
18 |
|
D |
26 |
8 |
14605 |
◊ |
D |
-y+2,-x+2,-z-2/3 |
10_774 |
26 |
8 |
14605 |
257.9 |
-1.8 |
0.355 |
0 |
2 |
0 |
0.000 |
19 |
|
F |
24 |
8 |
14607 |
◊ |
F |
x,x-y,-z-1/3 |
12_554 |
24 |
8 |
14607 |
229.5 |
-1.9 |
0.341 |
0 |
2 |
0 |
0.000 |
20 |
|
B |
23 |
8 |
14606 |
◊ |
B |
x,x-y,-z-1/3 |
12_554 |
24 |
8 |
14606 |
219.7 |
-2.0 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
235.7 |
-1.9 |
0.339 |
0 |
1 |
0 |
0.000 |
8 |
21 |
|
D |
32 |
10 |
14605 |
◊ |
A |
x-y+1,x,z-1/3 |
6_654 |
32 |
9 |
14686 |
249.4 |
-1.8 |
0.383 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
31 |
8 |
14726 |
◊ |
B |
-x+y+1,y,-z |
11_655 |
33 |
10 |
14606 |
243.1 |
-2.1 |
0.352 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
30 |
8 |
14607 |
◊ |
C |
-y+1,-x+1,-z-2/3 |
10_664 |
29 |
8 |
14697 |
241.7 |
-1.7 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
244.8 |
-1.9 |
0.373 |
0 |
0 |
0 |
0.000 |
9 |
24 |
|
C |
31 |
9 |
14697 |
◊ |
C |
y,x,-z-2/3 |
7_554 |
32 |
9 |
14697 |
232.5 |
2.0 |
0.762 |
0 |
2 |
0 |
0.000 |
10 |
25 |
|
[UVW]C:412 |
8 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
14697 |
122.0 |
-3.8 |
0.674 |
4 |
0 |
0 |
0.071 |
11 |
26 |
|
[UVW]F:423 |
7 |
1 |
247 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
14607 |
117.7 |
-2.1 |
0.754 |
6 |
0 |
0 |
0.180 |
12 |
27 |
|
[UVW]A:406 |
8 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
14686 |
116.9 |
-3.8 |
0.692 |
5 |
0 |
0 |
0.073 |
13 |
28 |
|
[UVW]C:420 |
8 |
1 |
250 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
14697 |
116.5 |
-2.3 |
0.760 |
5 |
0 |
0 |
0.058 |
14 |
29 |
|
[UVW]A:418 |
8 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14686 |
115.8 |
-2.3 |
0.760 |
6 |
0 |
0 |
0.061 |
15 |
30 |
|
[UVW]B:403 |
8 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14606 |
115.2 |
-3.6 |
0.735 |
5 |
0 |
0 |
0.071 |
16 |
31 |
|
[UVW]E:422 |
8 |
1 |
248 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
14726 |
115.1 |
-2.7 |
0.736 |
5 |
0 |
0 |
0.108 |
17 |
32 |
|
[UVW]D:409 |
8 |
1 |
249 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
14605 |
114.8 |
-3.2 |
0.741 |
4 |
0 |
0 |
0.064 |
18 |
33 |
|
[UVW]B:419 |
8 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14606 |
114.3 |
-2.7 |
0.760 |
7 |
0 |
0 |
0.071 |
19 |
34 |
|
[UVW]E:415 |
8 |
1 |
249 |
f |
E |
-x+1,-y+1,z |
4_665 |
13 |
8 |
14726 |
113.7 |
-3.6 |
0.723 |
4 |
0 |
0 |
0.120 |
20 |
35 |
|
[UVW]D:421 |
8 |
1 |
246 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
14605 |
110.1 |
-2.1 |
0.775 |
6 |
0 |
0 |
0.061 |
21 |
36 |
|
[UVW]B:404 |
8 |
1 |
246 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14606 |
100.9 |
-2.2 |
0.834 |
4 |
0 |
0 |
0.048 |
22 |
37 |
|
[UVW]C:407 |
7 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
14697 |
100.8 |
-2.3 |
0.792 |
3 |
0 |
0 |
0.046 |
23 |
38 |
|
[UVW]D:410 |
8 |
1 |
250 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
14605 |
100.5 |
-2.8 |
0.805 |
3 |
0 |
0 |
0.053 |
24 |
39 |
|
[UVW]A:401 |
7 |
1 |
248 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14686 |
98.8 |
-1.8 |
0.831 |
4 |
0 |
0 |
0.043 |
25 |
40 |
|
[UVW]E:413 |
7 |
1 |
249 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
14726 |
98.7 |
-1.7 |
0.822 |
4 |
0 |
0 |
0.078 |
26 |
41 |
|
[UVW]F:416 |
8 |
1 |
247 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
14607 |
93.3 |
-2.2 |
0.831 |
3 |
0 |
0 |
0.134 |
27 |
42 |
|
[UVW]A:402 |
8 |
1 |
248 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
14686 |
92.9 |
-0.4 |
0.913 |
4 |
0 |
0 |
0.027 |
43 |
|
[UVW]C:408 |
8 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
14697 |
89.8 |
-0.1 |
0.917 |
4 |
0 |
0 |
0.027 |
Average: |
91.3 |
-0.3 |
0.915 |
4 |
0 |
0 |
0.027 |
28 |
44 |
|
F |
12 |
6 |
14607 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
16 |
6 |
14686 |
92.7 |
1.6 |
0.767 |
0 |
2 |
0 |
0.000 |
29 |
45 |
|
[UVW]B:405 |
8 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14606 |
90.7 |
-0.5 |
0.927 |
4 |
0 |
0 |
0.028 |
30 |
46 |
|
[UVW]E:414 |
6 |
1 |
245 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
14726 |
86.7 |
-1.3 |
0.837 |
5 |
0 |
0 |
0.079 |
31 |
47 |
|
[UVW]F:417 |
8 |
1 |
250 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
14607 |
86.6 |
-0.5 |
0.934 |
4 |
0 |
0 |
0.085 |
32 |
48 |
|
[UVW]D:411 |
7 |
1 |
247 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
14605 |
86.5 |
-0.8 |
0.903 |
5 |
0 |
0 |
0.038 |
33 |
49 |
|
[SO4]E:503 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
2 |
14726 |
80.6 |
-9.0 |
0.870 |
3 |
0 |
0 |
0.229 |
34 |
50 |
|
[SO4]A:501 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
14686 |
77.7 |
-8.7 |
0.848 |
4 |
0 |
0 |
0.128 |
35 |
51 |
|
[SO4]C:502 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
14697 |
74.1 |
-8.4 |
0.877 |
2 |
0 |
0 |
0.119 |
36 |
52 |
|
[UVW]D:409 |
7 |
1 |
249 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
14697 |
59.8 |
0.2 |
0.919 |
2 |
0 |
0 |
0.009 |
37 |
53 |
|
[UVW]A:406 |
7 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14606 |
59.5 |
-0.1 |
0.902 |
1 |
0 |
0 |
0.019 |
54 |
|
[UVW]B:403 |
6 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
14686 |
58.9 |
-0.2 |
0.877 |
2 |
0 |
0 |
0.019 |
Average: |
59.2 |
-0.1 |
0.889 |
2 |
0 |
0 |
0.019 |
38 |
55 |
|
[UVW]E:415 |
6 |
1 |
249 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
14726 |
58.7 |
0.3 |
0.888 |
2 |
0 |
0 |
0.013 |
39 |
56 |
|
[UVW]C:412 |
7 |
1 |
248 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
14605 |
53.5 |
0.1 |
0.909 |
1 |
0 |
0 |
0.005 |
40 |
57 |
|
[UVW]F:423 |
4 |
1 |
247 |
◊ |
F |
-x+1,-y+1,z |
4_665 |
10 |
4 |
14607 |
53.5 |
-2.1 |
0.586 |
0 |
0 |
0 |
0.080 |
58 |
|
[UVW]C:420 |
3 |
1 |
250 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14605 |
43.9 |
-2.0 |
0.493 |
0 |
0 |
0 |
0.080 |
Average: |
48.7 |
-2.0 |
0.540 |
0 |
0 |
0 |
0.080 |
41 |
59 |
|
[UVW]B:419 |
4 |
1 |
250 |
f |
[UVW]B:403 |
x,y,z |
1_555 |
5 |
1 |
251 |
47.8 |
-3.2 |
0.763 |
0 |
0 |
0 |
0.039 |
42 |
60 |
|
[UVW]D:421 |
6 |
1 |
246 |
f |
[UVW]D:409 |
x,y,z |
1_555 |
5 |
1 |
249 |
44.4 |
-3.0 |
0.834 |
0 |
0 |
0 |
0.038 |
43 |
61 |
|
[UVW]C:420 |
5 |
1 |
250 |
f |
[UVW]C:412 |
x,y,z |
1_555 |
5 |
1 |
248 |
39.3 |
-2.0 |
0.859 |
0 |
0 |
0 |
0.026 |
44 |
62 |
|
[SO4]E:503 |
4 |
1 |
187 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
14606 |
37.5 |
-3.3 |
0.961 |
2 |
0 |
0 |
0.000 |
45 |
63 |
|
[UVW]A:418 |
5 |
1 |
247 |
f |
[UVW]A:406 |
x,y,z |
1_555 |
4 |
1 |
252 |
34.2 |
-2.0 |
0.862 |
0 |
0 |
0 |
0.024 |
46 |
64 |
|
D |
5 |
2 |
14605 |
◊ |
E |
x-y+1,x,z-1/3 |
6_654 |
4 |
2 |
14726 |
32.3 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
47 |
65 |
|
[UVW]E:422 |
3 |
1 |
248 |
◊ |
[UVW]E:415 |
-x+1,-y+1,z |
4_665 |
5 |
1 |
249 |
31.5 |
-2.2 |
0.701 |
0 |
0 |
0 |
0.049 |
48 |
66 |
|
[UVW]D:421 |
2 |
1 |
246 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
14697 |
30.5 |
-1.4 |
0.522 |
0 |
0 |
0 |
0.017 |
49 |
67 |
|
[UVW]A:418 |
3 |
1 |
247 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
14606 |
30.3 |
-1.4 |
0.556 |
0 |
0 |
0 |
0.017 |
50 |
68 |
|
F |
3 |
1 |
14607 |
◊ |
[SO4]C:502 |
-y+1,x-y,z+1/3 |
2_655 |
4 |
1 |
188 |
28.6 |
-3.1 |
0.920 |
1 |
0 |
0 |
0.000 |
51 |
69 |
|
[SO4]A:501 |
3 |
1 |
188 |
◊ |
D |
-x+2,-x+y+1,-z-1/3 |
9_764 |
3 |
1 |
14605 |
26.9 |
-2.6 |
0.938 |
1 |
0 |
0 |
0.000 |
52 |
70 |
|
[UVW]B:419 |
2 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14686 |
16.0 |
-0.9 |
0.417 |
0 |
0 |
0 |
0.011 |
53 |
71 |
|
[UVW]E:422 |
2 |
1 |
248 |
f |
E |
-x+1,-y+1,z |
4_665 |
5 |
2 |
14726 |
15.5 |
-0.6 |
0.563 |
0 |
0 |
0 |
0.014 |
54 |
72 |
|
E |
2 |
2 |
14726 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
14606 |
15.4 |
0.6 |
0.855 |
0 |
0 |
0 |
0.000 |
73 |
|
F |
1 |
1 |
14607 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
14697 |
3.0 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
74 |
|
D |
1 |
1 |
14605 |
◊ |
A |
-x+2,-x+y+1,-z-1/3 |
9_764 |
1 |
1 |
14686 |
2.1 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
Average: |
6.8 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
|