## |
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 |
|
C |
153 |
45 |
11730 |
◊ |
A |
x,y,z |
1_555 |
146 |
45 |
12361 |
1491.4 |
-20.3 |
0.071 |
15 |
4 |
0 |
0.823 |
2 |
|
L |
151 |
43 |
11624 |
◊ |
J |
x,y,z |
1_555 |
151 |
45 |
11866 |
1460.0 |
-23.3 |
0.033 |
11 |
4 |
0 |
0.823 |
3 |
|
F |
148 |
46 |
11637 |
◊ |
E |
x,y,z |
1_555 |
149 |
41 |
11688 |
1442.4 |
-22.7 |
0.034 |
14 |
5 |
0 |
0.823 |
4 |
|
B |
144 |
44 |
11710 |
◊ |
A |
x,y,z |
1_555 |
158 |
47 |
12361 |
1437.0 |
-23.1 |
0.035 |
14 |
4 |
0 |
0.823 |
5 |
|
K |
148 |
46 |
11690 |
◊ |
J |
x,y,z |
1_555 |
147 |
42 |
11866 |
1427.0 |
-21.7 |
0.040 |
14 |
3 |
0 |
0.823 |
6 |
|
F |
150 |
40 |
11637 |
◊ |
D |
x,y,z |
1_555 |
144 |
41 |
11733 |
1405.1 |
-21.9 |
0.049 |
12 |
2 |
0 |
0.823 |
7 |
|
E |
134 |
43 |
11688 |
◊ |
D |
x,y,z |
1_555 |
159 |
41 |
11733 |
1402.1 |
-23.5 |
0.034 |
11 |
1 |
0 |
0.823 |
8 |
|
I |
143 |
42 |
12098 |
◊ |
H |
x,y,z |
1_555 |
151 |
41 |
11454 |
1391.3 |
-22.8 |
0.040 |
13 |
5 |
0 |
0.823 |
9 |
|
L |
132 |
41 |
11624 |
◊ |
K |
x,y,z |
1_555 |
149 |
41 |
11690 |
1390.2 |
-21.3 |
0.036 |
14 |
3 |
0 |
0.823 |
10 |
|
H |
137 |
40 |
11454 |
◊ |
G |
x,y,z |
1_555 |
148 |
42 |
11736 |
1387.8 |
-21.5 |
0.044 |
14 |
2 |
0 |
0.823 |
11 |
|
C |
135 |
42 |
11730 |
◊ |
B |
x,y,z |
1_555 |
151 |
43 |
11710 |
1385.5 |
-20.1 |
0.058 |
15 |
5 |
0 |
0.823 |
12 |
|
I |
152 |
45 |
12098 |
◊ |
G |
x,y,z |
1_555 |
130 |
41 |
11736 |
1360.8 |
-22.1 |
0.037 |
13 |
5 |
0 |
0.823 |
Average: |
1415.0 |
-22.0 |
0.043 |
13 |
4 |
0 |
0.823 |
2 |
13 |
|
F |
49 |
15 |
11637 |
◊ |
C |
x,y,z |
1_555 |
51 |
16 |
11730 |
491.9 |
-0.4 |
0.711 |
3 |
9 |
0 |
0.037 |
14 |
|
J |
50 |
15 |
11866 |
◊ |
G |
x,y,z |
1_555 |
51 |
16 |
11736 |
490.8 |
-1.6 |
0.612 |
2 |
10 |
0 |
0.037 |
15 |
|
E |
48 |
15 |
11688 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
12361 |
486.8 |
-0.3 |
0.738 |
3 |
7 |
0 |
0.037 |
16 |
|
D |
47 |
15 |
11733 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
11710 |
479.2 |
0.1 |
0.770 |
2 |
8 |
0 |
0.037 |
17 |
|
K |
49 |
15 |
11690 |
◊ |
I |
x,y,z |
1_555 |
48 |
15 |
12098 |
478.4 |
-0.7 |
0.695 |
2 |
8 |
0 |
0.037 |
18 |
|
L |
49 |
16 |
11624 |
◊ |
H |
x,y,z |
1_555 |
47 |
16 |
11454 |
472.1 |
-1.1 |
0.677 |
2 |
8 |
0 |
0.037 |
Average: |
483.2 |
-0.7 |
0.701 |
2 |
8 |
0 |
0.037 |
3 |
19 |
|
K |
27 |
8 |
11690 |
◊ |
H |
x,y,z |
1_555 |
32 |
9 |
11454 |
335.4 |
-4.8 |
0.163 |
8 |
0 |
0 |
0.088 |
20 |
|
D |
30 |
9 |
11733 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
12361 |
315.8 |
-4.6 |
0.219 |
7 |
0 |
0 |
0.088 |
21 |
|
E |
32 |
9 |
11688 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
11730 |
312.7 |
-4.5 |
0.152 |
6 |
0 |
0 |
0.088 |
22 |
|
J |
29 |
8 |
11866 |
◊ |
I |
x,y,z |
1_555 |
29 |
10 |
12098 |
311.4 |
-4.7 |
0.180 |
7 |
0 |
0 |
0.088 |
23 |
|
F |
30 |
8 |
11637 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
11710 |
307.6 |
-3.6 |
0.292 |
7 |
0 |
0 |
0.088 |
24 |
|
L |
27 |
8 |
11624 |
◊ |
G |
x,y,z |
1_555 |
30 |
9 |
11736 |
302.4 |
-2.7 |
0.396 |
9 |
0 |
0 |
0.088 |
Average: |
314.2 |
-4.2 |
0.234 |
7 |
0 |
0 |
0.088 |
4 |
25 |
|
J |
38 |
10 |
11866 |
◊ |
I |
x-1,y,z |
1_455 |
39 |
14 |
12098 |
311.3 |
0.3 |
0.757 |
9 |
0 |
0 |
0.000 |
26 |
|
B |
36 |
14 |
11710 |
◊ |
F |
x-1,y,z |
1_455 |
36 |
10 |
11637 |
293.6 |
0.7 |
0.751 |
6 |
0 |
0 |
0.000 |
Average: |
302.4 |
0.5 |
0.754 |
8 |
0 |
0 |
0.000 |
5 |
27 |
|
A |
27 |
10 |
12361 |
◊ |
I |
x-1,y-1,z-1 |
1_444 |
27 |
10 |
12098 |
298.3 |
2.2 |
0.887 |
3 |
6 |
0 |
0.000 |
6 |
28 |
|
G |
30 |
8 |
11736 |
◊ |
I |
x-1,y,z |
1_455 |
30 |
11 |
12098 |
265.8 |
3.5 |
0.925 |
5 |
9 |
0 |
0.000 |
29 |
|
B |
26 |
9 |
11710 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
7 |
11730 |
216.9 |
2.5 |
0.861 |
1 |
6 |
0 |
0.000 |
Average: |
241.3 |
3.0 |
0.893 |
3 |
8 |
0 |
0.000 |
7 |
30 |
|
[PG5]C:274 |
12 |
1 |
411 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
11730 |
241.4 |
7.8 |
0.253 |
1 |
0 |
0 |
0.000 |
8 |
31 |
|
L |
19 |
7 |
11624 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
7 |
11637 |
217.5 |
0.3 |
0.719 |
3 |
4 |
0 |
0.000 |
9 |
32 |
|
A |
21 |
9 |
12361 |
◊ |
G |
x,y,z-1 |
1_554 |
22 |
8 |
11736 |
189.4 |
-0.3 |
0.644 |
2 |
2 |
0 |
0.000 |
10 |
33 |
|
K |
16 |
5 |
11690 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
5 |
11733 |
153.6 |
0.6 |
0.703 |
4 |
4 |
0 |
0.000 |
11 |
34 |
|
A |
17 |
4 |
12361 |
◊ |
G |
x-1,y-1,z-1 |
1_444 |
19 |
6 |
11736 |
150.7 |
-0.2 |
0.627 |
3 |
0 |
0 |
0.000 |
35 |
|
B |
15 |
6 |
11710 |
◊ |
I |
x-1,y-1,z-1 |
1_444 |
10 |
1 |
12098 |
104.9 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
127.8 |
-0.1 |
0.631 |
2 |
0 |
0 |
0.000 |
12 |
36 |
|
L |
15 |
7 |
11624 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11710 |
123.2 |
1.1 |
0.761 |
2 |
4 |
0 |
0.000 |
13 |
37 |
|
[PEG]L:275 |
7 |
1 |
260 |
◊ |
L |
x,y,z |
1_555 |
17 |
8 |
11624 |
121.1 |
3.1 |
0.365 |
0 |
0 |
0 |
0.000 |
14 |
38 |
|
A |
12 |
4 |
12361 |
◊ |
J |
x,y,z-1 |
1_554 |
9 |
2 |
11866 |
110.2 |
0.7 |
0.721 |
3 |
7 |
0 |
0.000 |
15 |
39 |
|
[GOL]J:274 |
6 |
1 |
221 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
11866 |
105.4 |
0.1 |
0.593 |
3 |
0 |
0 |
0.728 |
16 |
40 |
|
[PEG]L:275 |
7 |
1 |
260 |
f |
J |
x,y,z |
1_555 |
14 |
5 |
11866 |
101.0 |
1.0 |
0.173 |
0 |
0 |
0 |
0.000 |
17 |
41 |
|
L |
12 |
4 |
11624 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11733 |
96.2 |
0.9 |
0.810 |
2 |
0 |
0 |
0.000 |
18 |
42 |
|
C |
14 |
7 |
11730 |
◊ |
E |
x,y-1,z |
1_545 |
19 |
9 |
11688 |
89.0 |
1.4 |
0.820 |
2 |
1 |
0 |
0.000 |
19 |
43 |
|
[GOL]H:275 |
6 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
11454 |
88.0 |
0.8 |
0.735 |
1 |
0 |
0 |
0.000 |
20 |
44 |
|
[GOL]B:274 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
11710 |
85.9 |
0.5 |
0.694 |
4 |
0 |
0 |
0.013 |
21 |
45 |
|
[GOL]F:275 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
11 |
6 |
11637 |
85.7 |
1.3 |
0.782 |
3 |
0 |
0 |
0.000 |
22 |
46 |
|
[GOL]E:274 |
5 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
11637 |
84.5 |
-1.8 |
0.294 |
0 |
0 |
0 |
0.100 |
23 |
47 |
|
[GOL]B:274 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11730 |
84.1 |
-1.6 |
0.346 |
0 |
0 |
0 |
0.015 |
24 |
48 |
|
C |
9 |
3 |
11730 |
◊ |
I |
x-1,y-1,z-1 |
1_444 |
13 |
2 |
12098 |
83.3 |
-0.1 |
0.647 |
0 |
1 |
0 |
0.000 |
49 |
|
A |
11 |
4 |
12361 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
10 |
3 |
11454 |
76.0 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
79.7 |
-0.2 |
0.632 |
0 |
1 |
0 |
0.000 |
25 |
50 |
|
[GOL]F:275 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11733 |
83.3 |
-1.8 |
0.292 |
0 |
0 |
0 |
0.100 |
26 |
51 |
|
[GOL]H:275 |
5 |
1 |
219 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
12098 |
83.1 |
-1.3 |
0.366 |
0 |
0 |
0 |
0.013 |
27 |
52 |
|
[GOL]E:274 |
6 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
11688 |
81.8 |
0.6 |
0.667 |
2 |
0 |
0 |
0.003 |
28 |
53 |
|
J |
13 |
7 |
11866 |
◊ |
K |
x-1,y,z |
1_455 |
11 |
4 |
11690 |
80.2 |
0.5 |
0.717 |
1 |
0 |
0 |
0.000 |
54 |
|
D |
7 |
3 |
11733 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
5 |
11637 |
62.9 |
0.4 |
0.713 |
1 |
0 |
0 |
0.000 |
Average: |
71.5 |
0.4 |
0.715 |
1 |
0 |
0 |
0.000 |
29 |
55 |
|
B |
13 |
4 |
11710 |
◊ |
E |
x-1,y-1,z |
1_445 |
10 |
5 |
11688 |
78.6 |
1.3 |
0.827 |
3 |
3 |
0 |
0.000 |
30 |
56 |
|
H |
6 |
2 |
11454 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
11733 |
62.7 |
0.7 |
0.699 |
1 |
0 |
0 |
0.000 |
31 |
57 |
|
[SO4]K:274 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
11 |
5 |
12098 |
62.5 |
-8.7 |
0.614 |
0 |
0 |
0 |
0.087 |
32 |
58 |
|
L |
7 |
3 |
11624 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
11637 |
60.9 |
0.7 |
0.650 |
0 |
1 |
0 |
0.000 |
33 |
59 |
|
[SO4]H:274 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
11454 |
56.4 |
-7.4 |
0.858 |
1 |
0 |
0 |
0.100 |
60 |
|
[SO4]F:274 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
11688 |
54.1 |
-7.0 |
0.848 |
1 |
0 |
0 |
0.100 |
Average: |
55.3 |
-7.2 |
0.853 |
1 |
0 |
0 |
0.100 |
34 |
61 |
|
[SO4]A:274 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12361 |
54.6 |
-7.4 |
0.792 |
2 |
0 |
0 |
0.100 |
35 |
62 |
|
[SO4]L:274 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
7 |
4 |
11624 |
54.2 |
-7.1 |
0.825 |
3 |
0 |
0 |
0.100 |
36 |
63 |
|
[SO4]L:274 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
11866 |
53.1 |
-6.7 |
0.857 |
3 |
0 |
0 |
0.076 |
37 |
64 |
|
[SO4]L:274 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
6 |
4 |
11690 |
52.4 |
-6.4 |
0.883 |
1 |
0 |
0 |
0.065 |
38 |
65 |
|
[SO4]A:274 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
11730 |
52.3 |
-6.7 |
0.862 |
1 |
0 |
0 |
0.069 |
39 |
66 |
|
[SO4]H:274 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
11736 |
51.8 |
-7.0 |
0.792 |
1 |
0 |
0 |
0.061 |
40 |
67 |
|
[SO4]F:274 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
11733 |
51.4 |
-6.6 |
0.866 |
2 |
0 |
0 |
0.067 |
41 |
68 |
|
[SO4]K:274 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
7 |
5 |
11690 |
50.8 |
-6.9 |
0.716 |
0 |
0 |
0 |
0.026 |
42 |
69 |
|
[SO4]A:274 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11710 |
50.6 |
-6.3 |
0.855 |
2 |
0 |
0 |
0.070 |
43 |
70 |
|
[SO4]F:274 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
11637 |
50.2 |
-6.2 |
0.902 |
2 |
0 |
0 |
0.063 |
71 |
|
[SO4]H:274 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
12098 |
49.8 |
-6.1 |
0.864 |
2 |
0 |
0 |
0.063 |
Average: |
50.0 |
-6.1 |
0.883 |
2 |
0 |
0 |
0.063 |
44 |
72 |
|
E |
4 |
2 |
11688 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11710 |
32.2 |
-0.4 |
0.477 |
0 |
0 |
0 |
0.004 |
73 |
|
J |
4 |
2 |
11866 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11454 |
31.4 |
-0.4 |
0.440 |
0 |
0 |
0 |
0.004 |
74 |
|
D |
4 |
2 |
11733 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11730 |
30.9 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.004 |
75 |
|
K |
4 |
2 |
11690 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
11736 |
27.3 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.004 |
76 |
|
F |
4 |
2 |
11637 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12361 |
23.7 |
-0.3 |
0.498 |
0 |
0 |
0 |
0.004 |
77 |
|
L |
5 |
2 |
11624 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
12098 |
16.6 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.004 |
Average: |
27.0 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.004 |
45 |
78 |
|
A |
4 |
2 |
12361 |
◊ |
G |
x,y-1,z-1 |
1_544 |
4 |
2 |
11736 |
27.1 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
46 |
79 |
|
[SO4]K:274 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
11736 |
24.7 |
-3.1 |
0.676 |
0 |
0 |
0 |
0.026 |
47 |
80 |
|
[SO4]K:274 |
2 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
11866 |
20.2 |
-2.6 |
0.728 |
0 |
0 |
0 |
0.010 |
48 |
81 |
|
J |
1 |
1 |
11866 |
◊ |
H |
x-1,y-1,z |
1_445 |
3 |
1 |
11454 |
12.8 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
49 |
82 |
|
[GOL]J:274 |
3 |
1 |
221 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
11690 |
12.6 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
50 |
83 |
|
D |
1 |
1 |
11733 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
1 |
11688 |
10.2 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
51 |
84 |
|
E |
1 |
1 |
11688 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
11736 |
4.3 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
52 |
85 |
|
C |
3 |
1 |
11730 |
◊ |
G |
x,y-1,z-1 |
1_544 |
1 |
1 |
11736 |
3.5 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
53 |
86 |
|
B |
1 |
1 |
11710 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
11688 |
1.5 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
|