## |
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 |
95 |
29 |
12654 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
12519 |
922.5 |
-5.2 |
0.360 |
12 |
9 |
0 |
0.008 |
2 |
|
E |
96 |
32 |
12667 |
◊ |
D |
x,y,z |
1_555 |
95 |
30 |
12645 |
898.0 |
-3.8 |
0.430 |
12 |
12 |
0 |
0.008 |
3 |
|
F |
87 |
29 |
12800 |
◊ |
C |
x,y,z |
1_555 |
88 |
30 |
12738 |
813.2 |
-3.8 |
0.400 |
10 |
8 |
0 |
0.008 |
Average: |
877.9 |
-4.3 |
0.397 |
11 |
10 |
0 |
0.008 |
2 |
4 |
|
[ACO]B:301 |
47 |
1 |
1048 |
f |
B |
x,y,z |
1_555 |
73 |
24 |
12654 |
567.0 |
-2.4 |
0.450 |
12 |
0 |
0 |
0.098 |
5 |
|
[ACO]A:301 |
47 |
1 |
1053 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
12519 |
560.2 |
-2.0 |
0.422 |
11 |
0 |
0 |
0.098 |
6 |
|
[ACO]E:301 |
46 |
1 |
1044 |
f |
E |
x,y,z |
1_555 |
72 |
24 |
12667 |
559.8 |
-2.9 |
0.408 |
11 |
0 |
0 |
0.098 |
7 |
|
[ACO]C:301 |
47 |
1 |
1048 |
f |
C |
x,y,z |
1_555 |
71 |
24 |
12738 |
555.7 |
-2.1 |
0.429 |
11 |
0 |
0 |
0.098 |
8 |
|
[ACO]F:301 |
47 |
1 |
1046 |
f |
F |
x,y,z |
1_555 |
68 |
22 |
12800 |
555.5 |
-2.3 |
0.392 |
11 |
0 |
0 |
0.098 |
9 |
|
[ACO]D:301 |
47 |
1 |
1041 |
f |
D |
x,y,z |
1_555 |
73 |
25 |
12645 |
551.3 |
-2.8 |
0.396 |
9 |
0 |
0 |
0.098 |
Average: |
558.2 |
-2.4 |
0.416 |
11 |
0 |
0 |
0.098 |
3 |
10 |
|
E |
50 |
14 |
12667 |
◊ |
F |
-x-3/2,y-1/2,-z+3 |
4_348 |
51 |
14 |
12800 |
475.0 |
-2.9 |
0.341 |
5 |
2 |
0 |
0.035 |
4 |
11 |
|
D |
46 |
13 |
12645 |
◊ |
C |
x,y,z |
1_555 |
43 |
10 |
12738 |
435.4 |
4.1 |
0.884 |
10 |
3 |
0 |
0.000 |
5 |
12 |
|
C |
46 |
17 |
12738 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
12519 |
390.4 |
-2.9 |
0.375 |
3 |
2 |
0 |
0.000 |
13 |
|
D |
44 |
16 |
12645 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
12654 |
385.3 |
-3.1 |
0.361 |
3 |
3 |
0 |
0.000 |
Average: |
387.9 |
-3.0 |
0.368 |
3 |
3 |
0 |
0.000 |
6 |
14 |
|
C |
29 |
10 |
12738 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
26 |
7 |
12667 |
263.9 |
-0.9 |
0.474 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
D |
23 |
6 |
12645 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12519 |
239.3 |
-0.3 |
0.549 |
5 |
7 |
0 |
0.000 |
16 |
|
C |
25 |
6 |
12738 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
12654 |
233.1 |
-1.3 |
0.453 |
4 |
5 |
0 |
0.000 |
Average: |
236.2 |
-0.8 |
0.501 |
5 |
6 |
0 |
0.000 |
8 |
17 |
|
[PE3]E:309 |
10 |
1 |
310 |
f |
E |
x,y,z |
1_555 |
30 |
14 |
12667 |
210.0 |
-3.5 |
0.713 |
1 |
0 |
0 |
0.025 |
9 |
18 |
|
[PE3]B:305 |
13 |
1 |
393 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
12654 |
190.7 |
-6.6 |
0.450 |
0 |
0 |
0 |
0.017 |
10 |
19 |
|
[PE3]C:307 |
12 |
1 |
393 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
12645 |
184.1 |
-3.8 |
0.601 |
0 |
0 |
0 |
0.012 |
11 |
20 |
|
[PE3]A:307 |
11 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
12519 |
165.0 |
-4.2 |
0.484 |
1 |
0 |
0 |
0.007 |
12 |
21 |
|
[PE3]A:308 |
9 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
12519 |
145.4 |
-2.5 |
0.646 |
0 |
0 |
0 |
0.004 |
13 |
22 |
|
[GOL]D:304 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
28 |
13 |
12645 |
144.3 |
-0.4 |
0.510 |
2 |
0 |
0 |
0.004 |
14 |
23 |
|
[ACO]A:301 |
15 |
1 |
1053 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12654 |
142.2 |
1.7 |
0.735 |
1 |
0 |
0 |
0.000 |
24 |
|
[ACO]F:301 |
14 |
1 |
1046 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
12738 |
141.2 |
1.8 |
0.733 |
2 |
0 |
0 |
0.000 |
25 |
|
[ACO]D:301 |
14 |
1 |
1041 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
12667 |
140.2 |
2.0 |
0.749 |
2 |
0 |
0 |
0.000 |
26 |
|
[ACO]E:301 |
14 |
1 |
1044 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
12645 |
139.3 |
1.8 |
0.760 |
2 |
0 |
0 |
0.000 |
27 |
|
[ACO]B:301 |
15 |
1 |
1048 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12519 |
138.7 |
1.6 |
0.750 |
1 |
0 |
0 |
0.000 |
28 |
|
[ACO]C:301 |
14 |
1 |
1048 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
12800 |
136.2 |
1.7 |
0.729 |
2 |
0 |
0 |
0.000 |
Average: |
139.6 |
1.8 |
0.742 |
2 |
0 |
0 |
0.000 |
15 |
29 |
|
[GOL]A:303 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
12519 |
141.9 |
-0.4 |
0.568 |
3 |
0 |
0 |
0.003 |
16 |
30 |
|
[PE3]B:304 |
12 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
12738 |
133.3 |
-3.3 |
0.437 |
0 |
0 |
0 |
0.007 |
17 |
31 |
|
F |
15 |
4 |
12800 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
17 |
5 |
12667 |
127.2 |
-2.6 |
0.160 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
[GOL]D:303 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
12645 |
125.0 |
0.4 |
0.642 |
3 |
0 |
0 |
0.003 |
19 |
33 |
|
[GOL]E:302 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
24 |
10 |
12667 |
114.7 |
-0.7 |
0.494 |
1 |
0 |
0 |
0.008 |
20 |
34 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
12519 |
109.9 |
-16.8 |
0.692 |
2 |
0 |
0 |
0.027 |
21 |
35 |
|
[GOL]D:302 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
12645 |
103.0 |
-1.7 |
0.334 |
0 |
0 |
0 |
0.005 |
22 |
36 |
|
[PE3]C:307 |
11 |
1 |
393 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12738 |
99.4 |
-0.4 |
0.930 |
5 |
0 |
0 |
0.000 |
23 |
37 |
|
[SO4]E:307 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
20 |
5 |
12667 |
95.6 |
-11.8 |
0.830 |
1 |
0 |
0 |
0.080 |
24 |
38 |
|
[SO4]A:306 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12519 |
92.4 |
-12.7 |
0.901 |
5 |
0 |
0 |
0.023 |
25 |
39 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12654 |
92.3 |
-12.6 |
0.891 |
5 |
0 |
0 |
0.038 |
26 |
40 |
|
[SO4]F:303 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
12800 |
91.7 |
-12.6 |
0.892 |
4 |
0 |
0 |
0.094 |
27 |
41 |
|
[SO4]E:308 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
12667 |
90.6 |
-12.8 |
0.835 |
5 |
0 |
0 |
0.098 |
28 |
42 |
|
C |
13 |
4 |
12738 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
11 |
5 |
12645 |
88.9 |
-0.8 |
0.461 |
0 |
1 |
0 |
0.000 |
29 |
43 |
|
[SO4]E:303 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
12667 |
77.9 |
-10.8 |
0.671 |
2 |
0 |
0 |
0.076 |
30 |
44 |
|
[SO4]F:305 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
12800 |
76.8 |
-9.9 |
0.689 |
1 |
0 |
0 |
0.068 |
31 |
45 |
|
[SO4]D:305 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12645 |
75.9 |
-10.4 |
0.696 |
0 |
0 |
0 |
0.031 |
32 |
46 |
|
[SO4]C:304 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
12738 |
75.8 |
-10.6 |
0.675 |
1 |
0 |
0 |
0.022 |
33 |
47 |
|
[PE3]A:307 |
6 |
1 |
394 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
12738 |
72.8 |
-2.0 |
0.675 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[SO4]E:307 |
4 |
1 |
186 |
◊ |
F |
-x-3/2,y-1/2,-z+3 |
4_348 |
14 |
4 |
12800 |
72.5 |
-9.3 |
0.597 |
0 |
0 |
0 |
0.061 |
35 |
49 |
|
[PE3]F:307 |
6 |
1 |
385 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
12800 |
71.5 |
-3.2 |
0.355 |
0 |
0 |
0 |
0.021 |
36 |
50 |
|
[SO4]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
12654 |
69.3 |
-9.0 |
0.849 |
3 |
0 |
0 |
0.026 |
37 |
51 |
|
[SO4]C:306 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
12738 |
69.2 |
-9.4 |
0.781 |
1 |
0 |
0 |
0.020 |
38 |
52 |
|
[SO4]E:306 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
12667 |
69.0 |
-8.9 |
0.796 |
1 |
0 |
0 |
0.061 |
39 |
53 |
|
[PE3]B:305 |
4 |
1 |
393 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
12645 |
62.3 |
-0.9 |
0.717 |
1 |
0 |
0 |
0.000 |
40 |
54 |
|
[PE3]A:309 |
5 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12519 |
59.3 |
-1.5 |
0.666 |
0 |
0 |
0 |
0.002 |
41 |
55 |
|
[SO4]F:306 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
12800 |
58.2 |
-7.7 |
0.776 |
2 |
0 |
0 |
0.056 |
42 |
56 |
|
F |
5 |
1 |
12800 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
12645 |
56.9 |
-0.2 |
0.547 |
1 |
0 |
0 |
0.000 |
43 |
57 |
|
[SO4]D:306 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
12645 |
56.0 |
-7.7 |
0.746 |
1 |
0 |
0 |
0.025 |
44 |
58 |
|
E |
7 |
2 |
12667 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
12800 |
54.5 |
0.9 |
0.777 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
12738 |
52.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.015 |
46 |
60 |
|
[PE3]B:304 |
6 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
12654 |
51.4 |
-0.6 |
0.769 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[SO4]F:304 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
12800 |
51.2 |
-4.9 |
0.951 |
2 |
0 |
0 |
0.038 |
48 |
62 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
12519 |
50.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.009 |
49 |
63 |
|
[SO4]E:305 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12667 |
50.4 |
-5.5 |
0.891 |
3 |
0 |
0 |
0.045 |
50 |
64 |
|
[SO4]E:304 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
12667 |
47.5 |
-4.3 |
0.952 |
2 |
0 |
0 |
0.034 |
51 |
65 |
|
[SO4]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12519 |
47.4 |
-5.1 |
0.933 |
2 |
0 |
0 |
0.009 |
52 |
66 |
|
[SO4]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12738 |
47.0 |
-4.6 |
0.939 |
2 |
0 |
0 |
0.011 |
53 |
67 |
|
[SO4]C:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12738 |
43.0 |
-3.7 |
0.973 |
3 |
0 |
0 |
0.010 |
54 |
68 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
12800 |
37.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
69 |
|
[SO4]E:303 |
3 |
1 |
185 |
f |
[GOL]E:302 |
x,y,z |
1_555 |
4 |
1 |
216 |
37.4 |
-4.7 |
0.689 |
1 |
0 |
0 |
0.033 |
56 |
70 |
|
[SO4]F:306 |
4 |
1 |
185 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
12645 |
30.3 |
-3.3 |
0.690 |
1 |
0 |
0 |
0.000 |
57 |
71 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
12800 |
29.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
58 |
72 |
|
[GOL]D:303 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12654 |
19.9 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
59 |
73 |
|
[SO4]E:308 |
1 |
1 |
184 |
f |
[SO4]E:305 |
x,y,z |
1_555 |
1 |
1 |
184 |
19.7 |
-4.7 |
0.800 |
0 |
0 |
0 |
0.031 |
60 |
74 |
|
[PE3]A:307 |
1 |
1 |
394 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12645 |
19.3 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
61 |
75 |
|
[SO4]A:306 |
1 |
1 |
184 |
f |
[SO4]A:305 |
x,y,z |
1_555 |
3 |
1 |
186 |
15.6 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.006 |
62 |
76 |
|
[SO4]F:303 |
1 |
1 |
184 |
f |
[CL]F:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
63 |
77 |
|
[SO4]C:303 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12519 |
12.8 |
-1.4 |
0.716 |
0 |
0 |
0 |
0.000 |
64 |
78 |
|
[PE3]B:305 |
2 |
1 |
393 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12738 |
11.4 |
-0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
65 |
79 |
|
B |
1 |
1 |
12654 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
12519 |
7.4 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
|