| ## |
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 |
193 |
64 |
18622 |
◊ |
E |
x,y,z |
1_555 |
202 |
63 |
18922 |
1907.1 |
-10.3 |
0.742 |
21 |
10 |
0 |
0.432 |
2 |
|
G |
178 |
65 |
18861 |
◊ |
H |
x,y,z |
1_555 |
190 |
63 |
18972 |
1782.8 |
-7.4 |
0.879 |
22 |
9 |
0 |
0.432 |
3 |
|
C |
171 |
62 |
18799 |
◊ |
B |
x,y,z |
1_555 |
189 |
62 |
18707 |
1745.4 |
-10.8 |
0.826 |
21 |
10 |
0 |
0.432 |
4 |
|
L |
176 |
64 |
18710 |
◊ |
M |
x,y,z |
1_555 |
190 |
62 |
18803 |
1727.7 |
-9.4 |
0.836 |
23 |
10 |
0 |
0.432 |
5 |
|
J |
169 |
60 |
18717 |
◊ |
K |
x,y,z |
1_555 |
193 |
60 |
19026 |
1692.1 |
-8.8 |
0.866 |
20 |
8 |
0 |
0.432 |
| Average: |
1771.0 |
-9.3 |
0.830 |
21 |
9 |
0 |
0.432 |
| 2 |
6 |
|
I |
163 |
46 |
18718 |
◊ |
H |
x,y,z |
1_555 |
151 |
46 |
18972 |
1517.8 |
-3.8 |
0.928 |
19 |
10 |
0 |
0.061 |
| 3 |
7 |
|
E |
143 |
47 |
18922 |
◊ |
D |
x,y,z |
1_555 |
156 |
46 |
13228 |
1496.8 |
-4.6 |
0.710 |
22 |
10 |
0 |
0.157 |
8 |
|
B |
140 |
48 |
18707 |
◊ |
A |
x,y,z |
1_555 |
157 |
46 |
13272 |
1417.1 |
-6.1 |
0.606 |
18 |
10 |
0 |
0.157 |
| Average: |
1456.9 |
-5.3 |
0.658 |
20 |
10 |
0 |
0.157 |
| 4 |
9 |
|
J |
158 |
44 |
18717 |
◊ |
I |
x,y,z |
1_555 |
148 |
47 |
18718 |
1488.7 |
-6.6 |
0.883 |
23 |
10 |
0 |
0.116 |
| 5 |
10 |
|
C |
160 |
47 |
18799 |
◊ |
D |
x,y,z |
1_555 |
144 |
48 |
13228 |
1467.1 |
-5.2 |
0.761 |
18 |
10 |
0 |
0.060 |
| 6 |
11 |
|
L |
159 |
46 |
18710 |
◊ |
K |
x,y,z |
1_555 |
139 |
44 |
19026 |
1464.6 |
-5.2 |
0.886 |
26 |
10 |
0 |
0.151 |
| 7 |
12 |
|
M |
73 |
18 |
18803 |
◊ |
B |
x,y,z-1 |
1_554 |
88 |
26 |
18707 |
671.0 |
-4.7 |
0.738 |
5 |
5 |
0 |
0.000 |
| 8 |
13 |
|
L |
54 |
22 |
18710 |
◊ |
H |
-x+2,y-1/2,-z |
2_745 |
46 |
18 |
18972 |
435.7 |
1.3 |
0.906 |
4 |
3 |
0 |
0.000 |
| 9 |
14 |
|
E |
43 |
15 |
18922 |
◊ |
J |
x-1,y,z |
1_455 |
41 |
14 |
18717 |
389.1 |
1.0 |
0.895 |
3 |
2 |
0 |
0.000 |
| 10 |
15 |
|
G |
44 |
15 |
18861 |
◊ |
F |
x,y,z |
1_555 |
46 |
13 |
18622 |
356.0 |
-6.2 |
0.271 |
0 |
0 |
0 |
0.012 |
| 11 |
16 |
|
K |
23 |
8 |
19026 |
◊ |
H |
-x+2,y-1/2,-z |
2_745 |
31 |
9 |
18972 |
270.4 |
1.4 |
0.875 |
4 |
4 |
0 |
0.000 |
| 12 |
17 |
|
G |
32 |
9 |
18861 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
13272 |
259.3 |
-1.5 |
0.584 |
4 |
0 |
0 |
0.007 |
| 13 |
18 |
|
I |
28 |
8 |
18718 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
18799 |
247.7 |
-1.4 |
0.702 |
3 |
0 |
0 |
0.006 |
| 14 |
19 |
|
F |
20 |
7 |
18622 |
◊ |
J |
x-1,y,z |
1_455 |
30 |
10 |
18717 |
230.7 |
0.2 |
0.781 |
1 |
1 |
0 |
0.000 |
| 15 |
20 |
|
E |
32 |
10 |
18922 |
◊ |
I |
x-1,y,z |
1_455 |
21 |
6 |
18718 |
224.7 |
-0.9 |
0.717 |
1 |
1 |
0 |
0.000 |
| 16 |
21 |
|
J |
27 |
8 |
18717 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
13228 |
213.1 |
-1.4 |
0.581 |
2 |
0 |
0 |
0.005 |
| 17 |
22 |
|
K |
22 |
7 |
19026 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
18922 |
187.7 |
-1.2 |
0.642 |
2 |
0 |
0 |
0.004 |
23 |
|
H |
10 |
3 |
18972 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
18707 |
58.6 |
-0.1 |
0.677 |
0 |
0 |
0 |
0.004 |
| Average: |
123.1 |
-0.7 |
0.660 |
1 |
0 |
0 |
0.004 |
| 18 |
24 |
|
F |
27 |
13 |
18622 |
◊ |
I |
x-1,y,z |
1_455 |
20 |
11 |
18718 |
179.6 |
1.8 |
0.868 |
2 |
4 |
0 |
0.000 |
| 19 |
25 |
|
F |
15 |
5 |
18622 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
18803 |
160.1 |
-2.9 |
0.238 |
0 |
0 |
0 |
0.006 |
| 20 |
26 |
|
D |
23 |
7 |
13228 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
13272 |
151.2 |
-0.7 |
0.521 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
L |
23 |
7 |
18710 |
◊ |
G |
-x+2,y-1/2,-z |
2_745 |
17 |
6 |
18861 |
149.0 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
K |
20 |
6 |
19026 |
◊ |
G |
-x+2,y-1/2,-z |
2_745 |
18 |
7 |
18861 |
137.6 |
2.0 |
0.908 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
G |
16 |
7 |
18861 |
◊ |
M |
x,y,z |
1_555 |
17 |
4 |
18803 |
130.6 |
-0.4 |
0.686 |
1 |
0 |
0 |
0.004 |
| 24 |
30 |
|
L |
12 |
5 |
18710 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
18922 |
125.6 |
-2.1 |
0.366 |
0 |
0 |
0 |
0.004 |
| 25 |
31 |
|
L |
14 |
5 |
18710 |
◊ |
F |
x,y,z |
1_555 |
14 |
4 |
18622 |
109.0 |
-0.5 |
0.596 |
1 |
0 |
0 |
0.002 |
| 26 |
32 |
|
I |
11 |
5 |
18718 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
18707 |
108.2 |
-2.0 |
0.341 |
0 |
0 |
0 |
0.004 |
| 27 |
33 |
|
K |
11 |
5 |
19026 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
13228 |
103.5 |
-2.1 |
0.270 |
0 |
0 |
0 |
0.004 |
| 28 |
34 |
|
H |
8 |
4 |
18972 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
13272 |
100.9 |
-1.8 |
0.264 |
0 |
0 |
0 |
0.004 |
| 29 |
35 |
|
[SO4]F:1341 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
18622 |
96.0 |
-13.0 |
0.863 |
3 |
0 |
0 |
0.212 |
| 30 |
36 |
|
[SO4]F:1340 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
18622 |
95.8 |
-13.3 |
0.720 |
2 |
0 |
0 |
0.210 |
| 31 |
37 |
|
J |
11 |
4 |
18717 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
18799 |
92.7 |
-1.9 |
0.350 |
0 |
0 |
0 |
0.004 |
| 32 |
38 |
|
[SO4]G:1340 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
13 |
4 |
18861 |
90.7 |
-12.1 |
0.791 |
1 |
0 |
0 |
0.256 |
| 33 |
39 |
|
[SO4]E:1341 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
18922 |
87.6 |
-12.1 |
0.667 |
1 |
0 |
0 |
0.186 |
| 34 |
40 |
|
[SO4]B:1340 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
18707 |
85.9 |
-12.3 |
0.654 |
2 |
0 |
0 |
0.184 |
| 35 |
41 |
|
[SO4]K:1340 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
13 |
5 |
19026 |
85.8 |
-11.9 |
0.767 |
1 |
0 |
0 |
0.258 |
| 36 |
42 |
|
[SO4]M:1340 |
5 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
14 |
5 |
18803 |
83.9 |
-11.5 |
0.794 |
1 |
0 |
0 |
0.244 |
| 37 |
43 |
|
[SO4]B:1341 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
18707 |
83.4 |
-10.9 |
0.912 |
2 |
0 |
0 |
0.165 |
| 38 |
44 |
|
[SO4]H:1340 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
18972 |
82.4 |
-11.5 |
0.740 |
1 |
0 |
0 |
0.243 |
| 39 |
45 |
|
[SO4]A:1261 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13272 |
81.2 |
-11.2 |
0.841 |
2 |
0 |
0 |
0.096 |
| 40 |
46 |
|
[SO4]C:1340 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
18799 |
79.9 |
-11.2 |
0.781 |
1 |
0 |
0 |
0.162 |
| 41 |
47 |
|
[SO4]A:1261 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
18707 |
76.5 |
-8.9 |
0.932 |
3 |
0 |
0 |
0.081 |
| 42 |
48 |
|
[SO4]I:1340 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
18718 |
73.8 |
-10.8 |
0.726 |
1 |
0 |
0 |
0.100 |
| 43 |
49 |
|
[SO4]E:1340 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
13228 |
73.7 |
-10.4 |
0.691 |
1 |
0 |
0 |
0.108 |
| 44 |
50 |
|
[SO4]A:1260 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13272 |
72.3 |
-10.4 |
0.655 |
1 |
0 |
0 |
0.086 |
| 45 |
51 |
|
[SO4]J:1340 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
18717 |
72.2 |
-10.4 |
0.748 |
1 |
0 |
0 |
0.226 |
| 46 |
52 |
|
[SO4]L:1340 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
12 |
3 |
18710 |
71.9 |
-10.3 |
0.748 |
1 |
0 |
0 |
0.220 |
| 47 |
53 |
|
F |
9 |
4 |
18622 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
18707 |
60.6 |
-0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
| 48 |
54 |
|
G |
9 |
6 |
18861 |
◊ |
I |
x-1,y,z |
1_455 |
7 |
3 |
18718 |
60.3 |
-1.3 |
0.414 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[SO4]B:1341 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
18799 |
59.8 |
-6.3 |
0.932 |
3 |
0 |
0 |
0.107 |
| 50 |
56 |
|
[SO4]J:1340 |
4 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
18718 |
48.6 |
-6.2 |
0.734 |
0 |
0 |
0 |
0.040 |
| 51 |
57 |
|
[SO4]E:1340 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
18922 |
48.1 |
-5.9 |
0.843 |
1 |
0 |
0 |
0.063 |
| 52 |
58 |
|
[SO4]H:1340 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
18861 |
48.0 |
-6.1 |
0.743 |
0 |
0 |
0 |
0.123 |
| 53 |
59 |
|
[SO4]L:1340 |
4 |
1 |
186 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
19026 |
46.4 |
-5.9 |
0.731 |
0 |
0 |
0 |
0.049 |
| 54 |
60 |
|
[SO4]I:1340 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
18972 |
45.4 |
-5.9 |
0.749 |
0 |
0 |
0 |
0.026 |
| 55 |
61 |
|
[SO4]K:1340 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
18717 |
45.0 |
-5.4 |
0.851 |
1 |
0 |
0 |
0.122 |
| 56 |
62 |
|
[SO4]C:1340 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13228 |
43.0 |
-4.8 |
0.814 |
2 |
0 |
0 |
0.023 |
| 57 |
63 |
|
[SO4]A:1260 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18707 |
42.9 |
-5.4 |
0.703 |
0 |
0 |
0 |
0.043 |
| 58 |
64 |
|
F |
5 |
2 |
18622 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
1 |
18972 |
41.8 |
0.7 |
0.655 |
1 |
0 |
0 |
0.000 |
| 59 |
65 |
|
[SO4]B:1340 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
18799 |
40.3 |
-5.2 |
0.854 |
1 |
0 |
0 |
0.079 |
| 60 |
66 |
|
M |
9 |
3 |
18803 |
◊ |
I |
x-1,y,z |
1_455 |
4 |
1 |
18718 |
40.1 |
-0.9 |
0.397 |
0 |
0 |
0 |
0.000 |
| 61 |
67 |
|
[SO4]E:1341 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
18622 |
38.8 |
-5.5 |
0.715 |
0 |
0 |
0 |
0.081 |
| 62 |
68 |
|
[SO4]M:1340 |
3 |
1 |
187 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
18710 |
37.2 |
-4.7 |
0.804 |
1 |
0 |
0 |
0.104 |
|