## |
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 |
|
J |
223 |
63 |
13170 |
◊ |
I |
x,y,z |
1_555 |
218 |
62 |
12345 |
2126.3 |
-22.7 |
0.061 |
32 |
5 |
1 |
0.610 |
2 |
|
E |
216 |
59 |
13093 |
◊ |
D |
x,y,z |
1_555 |
220 |
62 |
12372 |
2005.1 |
-27.5 |
0.021 |
27 |
5 |
1 |
0.610 |
Average: |
2065.7 |
-25.1 |
0.041 |
30 |
5 |
1 |
0.610 |
2 |
3 |
|
G |
129 |
33 |
6746 |
◊ |
F |
x,y,z |
1_555 |
138 |
45 |
15487 |
1308.5 |
-10.3 |
0.158 |
20 |
5 |
0 |
0.950 |
4 |
|
B |
131 |
34 |
6692 |
◊ |
A |
x,y,z |
1_555 |
146 |
45 |
15755 |
1259.0 |
-11.5 |
0.173 |
19 |
3 |
0 |
0.950 |
Average: |
1283.7 |
-10.9 |
0.166 |
20 |
4 |
0 |
0.950 |
3 |
5 |
|
I |
98 |
34 |
12345 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
88 |
31 |
12372 |
916.9 |
-8.2 |
0.278 |
5 |
0 |
0 |
0.045 |
4 |
6 |
|
H |
56 |
9 |
1292 |
◊ |
F |
x,y,z |
1_555 |
113 |
34 |
15487 |
785.1 |
-10.7 |
0.298 |
17 |
1 |
0 |
1.000 |
7 |
|
C |
55 |
9 |
1273 |
◊ |
A |
x,y,z |
1_555 |
113 |
32 |
15755 |
759.8 |
-11.4 |
0.271 |
13 |
0 |
0 |
1.000 |
Average: |
772.4 |
-11.0 |
0.285 |
15 |
1 |
0 |
1.000 |
5 |
8 |
|
J |
65 |
20 |
13170 |
◊ |
J |
-x+1,-y,z |
2_655 |
65 |
20 |
13170 |
586.8 |
3.3 |
0.856 |
8 |
2 |
0 |
0.005 |
6 |
9 |
|
I |
60 |
15 |
12345 |
◊ |
F |
x,y,z |
1_555 |
63 |
18 |
15487 |
526.3 |
-0.8 |
0.567 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
55 |
14 |
15755 |
◊ |
E |
x,y-1,z |
1_545 |
57 |
21 |
13093 |
508.5 |
-3.2 |
0.379 |
7 |
8 |
0 |
0.095 |
8 |
11 |
|
F |
48 |
13 |
15487 |
◊ |
J |
x,y,z-1 |
1_554 |
54 |
16 |
13170 |
506.0 |
-1.5 |
0.497 |
4 |
2 |
0 |
0.000 |
9 |
12 |
|
D |
61 |
16 |
12372 |
◊ |
A |
x,y,z |
1_555 |
61 |
17 |
15755 |
503.0 |
-0.2 |
0.619 |
7 |
2 |
0 |
0.000 |
10 |
13 |
|
G |
45 |
15 |
6746 |
◊ |
E |
-x+1/2,y-1/2,-z |
3_545 |
55 |
16 |
13093 |
450.9 |
1.3 |
0.747 |
6 |
3 |
0 |
0.000 |
11 |
14 |
|
E |
44 |
12 |
13093 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
15755 |
399.7 |
-1.3 |
0.486 |
2 |
3 |
0 |
0.000 |
15 |
|
J |
37 |
10 |
13170 |
◊ |
F |
x,y,z |
1_555 |
43 |
12 |
15487 |
349.5 |
0.2 |
0.620 |
2 |
3 |
0 |
0.000 |
Average: |
374.6 |
-0.6 |
0.553 |
2 |
3 |
0 |
0.000 |
12 |
16 |
|
E |
39 |
10 |
13093 |
x |
E |
-x+1/2,y-1/2,-z |
3_545 |
35 |
9 |
13093 |
348.4 |
0.1 |
0.667 |
4 |
4 |
0 |
0.000 |
13 |
17 |
|
I |
28 |
8 |
12345 |
◊ |
A |
-x+1,-y,z |
2_655 |
33 |
11 |
15755 |
283.9 |
2.8 |
0.842 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
31 |
11 |
15755 |
◊ |
E |
-x+1/2,y-1/2,-z |
3_545 |
28 |
9 |
13093 |
250.5 |
-1.9 |
0.383 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
B |
26 |
8 |
6692 |
◊ |
E |
x,y-1,z |
1_545 |
20 |
6 |
13093 |
220.7 |
-0.6 |
0.539 |
1 |
1 |
0 |
0.016 |
16 |
20 |
|
B |
20 |
6 |
6692 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
20 |
7 |
15755 |
197.0 |
-1.4 |
0.395 |
1 |
1 |
0 |
0.000 |
17 |
21 |
|
I |
23 |
7 |
12345 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
1292 |
167.4 |
0.5 |
0.875 |
6 |
0 |
0 |
0.000 |
22 |
|
D |
24 |
7 |
12372 |
◊ |
C |
x,y,z |
1_555 |
23 |
6 |
1273 |
163.1 |
0.3 |
0.871 |
5 |
0 |
0 |
0.000 |
Average: |
165.2 |
0.4 |
0.873 |
6 |
0 |
0 |
0.000 |
18 |
23 |
|
E |
17 |
4 |
13093 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
1273 |
155.1 |
-1.3 |
0.558 |
4 |
0 |
0 |
0.000 |
24 |
|
J |
17 |
5 |
13170 |
◊ |
H |
x,y,z |
1_555 |
18 |
6 |
1292 |
152.6 |
-1.3 |
0.585 |
4 |
0 |
0 |
0.000 |
Average: |
153.8 |
-1.3 |
0.571 |
4 |
0 |
0 |
0.000 |
19 |
25 |
|
J |
20 |
8 |
13170 |
◊ |
J |
-x+1,-y+1,z |
2_665 |
20 |
8 |
13170 |
148.6 |
0.7 |
0.727 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
F |
18 |
5 |
15487 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
18 |
5 |
15487 |
144.5 |
-1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
F |
18 |
6 |
15487 |
◊ |
J |
-x+1,-y+1,z-1 |
2_664 |
18 |
7 |
13170 |
124.0 |
1.8 |
0.805 |
0 |
1 |
0 |
0.000 |
22 |
28 |
|
F |
14 |
6 |
15487 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
4 |
12372 |
121.4 |
-1.9 |
0.231 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15755 |
110.0 |
3.1 |
0.422 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
I |
12 |
4 |
12345 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
9 |
3 |
15487 |
101.9 |
-0.5 |
0.453 |
1 |
1 |
0 |
0.000 |
25 |
31 |
|
[SO4]E:303 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
13093 |
89.8 |
-13.4 |
0.781 |
2 |
0 |
0 |
0.197 |
26 |
32 |
|
[SO4]E:302 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
13093 |
88.2 |
-12.2 |
0.758 |
3 |
0 |
0 |
0.187 |
27 |
33 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15755 |
87.3 |
3.1 |
0.321 |
2 |
0 |
0 |
0.000 |
28 |
34 |
|
F |
8 |
3 |
15487 |
◊ |
I |
x,y,z-1 |
1_554 |
10 |
4 |
12345 |
83.6 |
1.7 |
0.836 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]J:301 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
12 |
5 |
13170 |
78.4 |
1.3 |
0.665 |
4 |
0 |
0 |
0.008 |
30 |
36 |
|
[SO4]J:302 |
4 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
13170 |
77.0 |
-11.7 |
0.587 |
3 |
0 |
0 |
0.217 |
31 |
37 |
|
[EDO]I:303 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
12345 |
76.8 |
2.5 |
0.926 |
4 |
0 |
0 |
0.000 |
32 |
38 |
|
[SO4]J:303 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
13170 |
74.7 |
-10.0 |
0.747 |
2 |
0 |
0 |
0.181 |
33 |
39 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
12372 |
74.6 |
1.7 |
0.797 |
2 |
0 |
0 |
0.000 |
34 |
40 |
|
B |
8 |
3 |
6692 |
◊ |
I |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
4 |
12345 |
73.0 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
7 |
2 |
15755 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
4 |
12372 |
71.0 |
0.9 |
0.494 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[EDO]I:302 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
12345 |
69.1 |
1.4 |
0.739 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[SO4]J:305 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
13170 |
66.1 |
-10.1 |
0.666 |
4 |
0 |
0 |
0.198 |
38 |
44 |
|
[SO4]J:304 |
4 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
13170 |
64.5 |
-8.8 |
0.649 |
2 |
0 |
0 |
0.162 |
39 |
45 |
|
[GOL]F:301 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
15487 |
62.6 |
-0.6 |
0.470 |
1 |
0 |
0 |
0.100 |
40 |
46 |
|
[EDO]I:301 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
12345 |
60.4 |
2.1 |
0.942 |
3 |
0 |
0 |
0.000 |
41 |
47 |
|
[SO4]J:305 |
5 |
1 |
185 |
◊ |
J |
-x+1,-y,z |
2_655 |
11 |
4 |
13170 |
54.1 |
-6.3 |
0.733 |
3 |
0 |
0 |
0.127 |
42 |
48 |
|
E |
5 |
1 |
13093 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
6 |
2 |
12372 |
49.5 |
0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
B |
4 |
1 |
6692 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
13170 |
45.3 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[SO4]A:303 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6692 |
44.7 |
-4.8 |
0.914 |
2 |
0 |
0 |
0.218 |
45 |
51 |
|
[SO4]J:305 |
4 |
1 |
185 |
◊ |
[SO4]J:305 |
-x+1,-y,z |
2_655 |
4 |
1 |
185 |
43.8 |
-9.7 |
0.973 |
0 |
0 |
0 |
0.081 |
46 |
52 |
|
J |
4 |
3 |
13170 |
◊ |
I |
-x+1,-y+1,z |
2_665 |
4 |
2 |
12345 |
41.4 |
1.4 |
0.899 |
1 |
0 |
0 |
0.000 |
47 |
53 |
|
F |
11 |
4 |
15487 |
◊ |
[SO4]J:304 |
-x+1,-y+1,z-1 |
2_664 |
3 |
1 |
186 |
39.2 |
-4.6 |
0.865 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
[SO4]A:303 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15755 |
39.0 |
-3.6 |
0.944 |
3 |
0 |
0 |
0.190 |
49 |
55 |
|
A |
5 |
2 |
15755 |
◊ |
[SO4]E:302 |
-x+1/2,y-1/2,-z |
3_545 |
3 |
1 |
187 |
38.0 |
-4.4 |
0.863 |
1 |
0 |
0 |
0.000 |
50 |
56 |
|
G |
6 |
3 |
6746 |
◊ |
E |
x,y-1,z |
1_545 |
5 |
1 |
13093 |
34.7 |
0.6 |
0.752 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
F |
2 |
1 |
15487 |
◊ |
E |
x,y-1,z |
1_545 |
5 |
3 |
13093 |
30.9 |
-0.9 |
0.168 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]E:301 |
2 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
13093 |
30.9 |
1.2 |
0.962 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
J |
7 |
5 |
13170 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
4 |
12372 |
29.6 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
F |
4 |
2 |
15487 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
15755 |
24.8 |
0.6 |
0.759 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[SO4]J:302 |
2 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12345 |
20.4 |
-2.6 |
0.716 |
0 |
0 |
0 |
0.030 |
56 |
62 |
|
B |
2 |
1 |
6692 |
f |
[EDO]E:301 |
x,y-1,z |
1_545 |
2 |
1 |
184 |
15.6 |
0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[SO4]J:302 |
3 |
1 |
187 |
◊ |
[SO4]J:302 |
-x+1,-y+1,z |
2_665 |
3 |
1 |
187 |
11.9 |
-2.7 |
0.992 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[SO4]J:303 |
3 |
1 |
187 |
◊ |
[SO4]J:303 |
-x+1,-y,z |
2_655 |
3 |
1 |
187 |
11.2 |
-2.6 |
0.992 |
0 |
0 |
0 |
0.021 |
59 |
65 |
|
A |
1 |
1 |
15755 |
◊ |
[SO4]E:303 |
-x+1/2,y-1/2,-z |
3_545 |
2 |
1 |
186 |
10.7 |
-0.9 |
0.949 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[SO4]J:302 |
3 |
1 |
187 |
◊ |
J |
-x+1,-y+1,z |
2_665 |
2 |
1 |
13170 |
10.1 |
-1.3 |
0.585 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[SO4]E:302 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12372 |
8.9 |
-1.3 |
0.459 |
0 |
0 |
0 |
0.017 |
62 |
68 |
|
A |
1 |
1 |
15755 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
4 |
2 |
12372 |
7.4 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
A |
2 |
1 |
15755 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
6692 |
6.3 |
-0.2 |
0.367 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
D |
2 |
1 |
12372 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
15487 |
5.6 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[EDO]I:302 |
1 |
1 |
184 |
f |
[EDO]I:301 |
x,y,z |
1_555 |
2 |
1 |
183 |
4.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
[SO4]J:304 |
2 |
1 |
186 |
◊ |
J |
-x+1,-y+1,z |
2_665 |
1 |
1 |
13170 |
3.6 |
-0.4 |
0.849 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
C |
1 |
1 |
1273 |
◊ |
E |
-x+1/2,y-1/2,-z |
3_545 |
1 |
1 |
13093 |
2.6 |
-0.1 |
0.484 |
0 |
0 |
0 |
0.000 |
|