## |
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 |
|
K |
128 |
34 |
6620 |
◊ |
J |
x,y,z |
1_555 |
144 |
43 |
15743 |
1307.1 |
-9.5 |
0.215 |
18 |
2 |
0 |
0.225 |
2 |
|
B |
128 |
34 |
6596 |
◊ |
A |
x,y,z |
1_555 |
144 |
43 |
15794 |
1279.7 |
-8.3 |
0.257 |
17 |
3 |
0 |
0.225 |
3 |
|
E |
129 |
34 |
6583 |
◊ |
D |
x,y,z |
1_555 |
142 |
43 |
15784 |
1271.9 |
-11.0 |
0.179 |
16 |
4 |
0 |
0.225 |
4 |
|
H |
128 |
33 |
6597 |
◊ |
G |
x,y,z |
1_555 |
142 |
43 |
15870 |
1270.6 |
-10.2 |
0.189 |
17 |
2 |
0 |
0.225 |
Average: |
1282.3 |
-9.7 |
0.210 |
17 |
3 |
0 |
0.225 |
2 |
5 |
|
L |
73 |
9 |
1469 |
◊ |
J |
x,y,z |
1_555 |
119 |
36 |
15743 |
906.7 |
-5.3 |
0.348 |
21 |
2 |
0 |
0.902 |
6 |
|
C |
75 |
9 |
1466 |
◊ |
A |
x,y,z |
1_555 |
117 |
35 |
15794 |
903.3 |
-5.5 |
0.336 |
22 |
2 |
0 |
0.902 |
7 |
|
F |
74 |
9 |
1464 |
◊ |
D |
x,y,z |
1_555 |
115 |
35 |
15784 |
903.3 |
-5.5 |
0.328 |
20 |
2 |
0 |
0.902 |
8 |
|
I |
74 |
9 |
1465 |
◊ |
G |
x,y,z |
1_555 |
116 |
36 |
15870 |
902.7 |
-5.3 |
0.342 |
21 |
2 |
0 |
0.902 |
Average: |
904.0 |
-5.4 |
0.338 |
21 |
2 |
0 |
0.902 |
3 |
9 |
|
J |
78 |
20 |
15743 |
◊ |
D |
x,y,z |
1_555 |
75 |
18 |
15784 |
654.7 |
-3.8 |
0.355 |
5 |
7 |
0 |
0.000 |
10 |
|
G |
78 |
20 |
15870 |
◊ |
A |
x,y,z |
1_555 |
74 |
18 |
15794 |
647.7 |
-3.8 |
0.346 |
5 |
7 |
0 |
0.000 |
Average: |
651.2 |
-3.8 |
0.351 |
5 |
7 |
0 |
0.000 |
4 |
11 |
|
J |
68 |
18 |
15743 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
70 |
18 |
15794 |
647.3 |
-2.7 |
0.415 |
5 |
0 |
0 |
0.000 |
12 |
|
D |
68 |
18 |
15784 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
68 |
18 |
15870 |
647.1 |
-2.5 |
0.422 |
6 |
0 |
0 |
0.000 |
Average: |
647.2 |
-2.6 |
0.419 |
6 |
0 |
0 |
0.000 |
5 |
13 |
|
D |
62 |
19 |
15784 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
15794 |
498.5 |
-3.5 |
0.330 |
0 |
0 |
0 |
0.000 |
6 |
14 |
|
A |
33 |
12 |
15794 |
◊ |
H |
x,y,z-1 |
1_554 |
30 |
8 |
6597 |
283.3 |
-4.6 |
0.124 |
0 |
0 |
0 |
0.039 |
15 |
|
D |
35 |
12 |
15784 |
◊ |
K |
x-1,y,z |
1_455 |
30 |
8 |
6620 |
277.3 |
-4.5 |
0.138 |
0 |
0 |
0 |
0.039 |
16 |
|
B |
28 |
8 |
6596 |
◊ |
G |
x,y,z-1 |
1_554 |
30 |
9 |
15870 |
251.5 |
-4.4 |
0.168 |
0 |
0 |
0 |
0.039 |
17 |
|
E |
29 |
9 |
6583 |
◊ |
J |
x-1,y,z |
1_455 |
29 |
8 |
15743 |
248.7 |
-4.6 |
0.156 |
0 |
0 |
0 |
0.039 |
Average: |
265.2 |
-4.5 |
0.146 |
0 |
0 |
0 |
0.039 |
7 |
18 |
|
D |
28 |
9 |
15784 |
◊ |
K |
x-1,y,z-1 |
1_454 |
33 |
9 |
6620 |
255.0 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
29 |
9 |
15794 |
◊ |
H |
x-1,y,z-1 |
1_454 |
33 |
9 |
6597 |
251.1 |
-1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
Average: |
253.0 |
-1.0 |
0.388 |
0 |
0 |
0 |
0.000 |
8 |
20 |
|
B |
23 |
7 |
6596 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
15784 |
173.3 |
-0.8 |
0.500 |
1 |
0 |
0 |
0.000 |
21 |
|
E |
23 |
7 |
6583 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
15794 |
171.8 |
-0.8 |
0.485 |
1 |
0 |
0 |
0.000 |
Average: |
172.5 |
-0.8 |
0.492 |
1 |
0 |
0 |
0.000 |
9 |
22 |
|
J |
15 |
8 |
15743 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
15870 |
136.6 |
1.5 |
0.761 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[GOL]D:279 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
5 |
15784 |
119.3 |
-1.1 |
0.431 |
1 |
0 |
0 |
0.100 |
11 |
24 |
|
[GOL]A:277 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
15794 |
117.9 |
-1.4 |
0.393 |
2 |
0 |
0 |
0.128 |
12 |
25 |
|
D |
16 |
6 |
15784 |
◊ |
J |
x-1,y,z-1 |
1_454 |
15 |
4 |
15743 |
116.2 |
0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
15 |
6 |
15794 |
◊ |
G |
x-1,y,z-1 |
1_454 |
14 |
4 |
15870 |
115.9 |
0.2 |
0.528 |
0 |
0 |
0 |
0.000 |
Average: |
116.1 |
0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
[GOL]J:279 |
6 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
18 |
4 |
15743 |
114.3 |
-1.1 |
0.404 |
2 |
0 |
0 |
0.084 |
14 |
28 |
|
H |
11 |
4 |
6597 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
15743 |
105.4 |
-2.1 |
0.169 |
0 |
0 |
0 |
0.000 |
29 |
|
K |
12 |
4 |
6620 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
15870 |
103.7 |
-2.1 |
0.176 |
0 |
0 |
0 |
0.000 |
Average: |
104.6 |
-2.1 |
0.173 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[GOL]G:278 |
6 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
18 |
4 |
15870 |
105.2 |
-0.2 |
0.553 |
2 |
0 |
0 |
0.010 |
16 |
31 |
|
[SO4]E:104 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
6583 |
103.5 |
-14.1 |
0.900 |
3 |
0 |
0 |
0.185 |
17 |
32 |
|
[SO4]B:103 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
6596 |
102.0 |
-13.5 |
0.907 |
3 |
0 |
0 |
0.183 |
18 |
33 |
|
[SO4]E:102 |
5 |
1 |
185 |
f |
H |
x-1,y,z-1 |
1_454 |
15 |
8 |
6597 |
96.9 |
-13.5 |
0.838 |
3 |
0 |
0 |
0.145 |
19 |
34 |
|
[SO4]B:102 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
6596 |
95.6 |
-13.3 |
0.843 |
3 |
0 |
0 |
0.181 |
20 |
35 |
|
[SO4]D:277 |
5 |
1 |
185 |
f |
K |
x-1,y,z |
1_455 |
16 |
8 |
6620 |
94.3 |
-12.8 |
0.839 |
3 |
0 |
0 |
0.134 |
21 |
36 |
|
[SO4]E:103 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
6583 |
92.3 |
-12.5 |
0.849 |
3 |
0 |
0 |
0.166 |
22 |
37 |
|
[SO4]K:102 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
14 |
5 |
6620 |
91.8 |
-13.7 |
0.642 |
1 |
0 |
0 |
0.135 |
23 |
38 |
|
[SO4]B:100 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
6596 |
90.8 |
-13.0 |
0.764 |
1 |
0 |
0 |
0.166 |
24 |
39 |
|
[SO4]H:102 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
9 |
6597 |
90.2 |
-13.0 |
0.755 |
1 |
0 |
0 |
0.131 |
25 |
40 |
|
[SO4]E:100 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
20 |
10 |
6583 |
90.0 |
-12.8 |
0.760 |
1 |
0 |
0 |
0.159 |
26 |
41 |
|
[SO4]H:103 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
6597 |
89.7 |
-13.4 |
0.626 |
1 |
0 |
0 |
0.135 |
27 |
42 |
|
[GOL]G:278 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
6597 |
77.1 |
-0.6 |
0.537 |
2 |
0 |
0 |
0.015 |
28 |
43 |
|
[SO4]H:101 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
6597 |
75.3 |
-9.5 |
0.845 |
3 |
0 |
0 |
0.105 |
29 |
44 |
|
[GOL]J:279 |
6 |
1 |
219 |
◊ |
K |
x,y,z |
1_555 |
10 |
4 |
6620 |
69.5 |
0.3 |
0.638 |
2 |
0 |
0 |
0.006 |
30 |
45 |
|
J |
11 |
3 |
15743 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
6596 |
69.3 |
-0.8 |
0.409 |
1 |
0 |
0 |
0.000 |
46 |
|
E |
5 |
1 |
6583 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
15870 |
69.1 |
-0.8 |
0.401 |
1 |
0 |
0 |
0.000 |
47 |
|
K |
5 |
1 |
6620 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
15794 |
56.5 |
-0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
10 |
4 |
15784 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
6597 |
55.9 |
-0.5 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
62.7 |
-0.7 |
0.437 |
1 |
0 |
0 |
0.000 |
31 |
49 |
|
[SO4]K:101 |
5 |
1 |
184 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
6620 |
69.2 |
-8.1 |
0.934 |
4 |
0 |
0 |
0.094 |
32 |
50 |
|
[SO4]E:101 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
6583 |
68.4 |
-9.4 |
0.770 |
2 |
0 |
0 |
0.123 |
33 |
51 |
|
[SO4]B:101 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
6596 |
68.3 |
-9.3 |
0.768 |
1 |
0 |
0 |
0.121 |
34 |
52 |
|
[SO4]H:100 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
6597 |
67.8 |
-9.3 |
0.765 |
1 |
0 |
0 |
0.095 |
35 |
53 |
|
[SO4]J:277 |
4 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
11 |
7 |
6620 |
66.4 |
-9.4 |
0.643 |
0 |
0 |
0 |
0.089 |
36 |
54 |
|
[GOL]D:279 |
5 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
6583 |
66.1 |
-0.3 |
0.558 |
1 |
0 |
0 |
0.009 |
37 |
55 |
|
[SO4]K:100 |
4 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
13 |
6 |
6620 |
63.7 |
-8.8 |
0.773 |
2 |
0 |
0 |
0.092 |
38 |
56 |
|
[SO4]E:100 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
15784 |
62.8 |
-8.5 |
0.684 |
2 |
0 |
0 |
0.113 |
39 |
57 |
|
[SO4]H:102 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
15870 |
62.6 |
-8.4 |
0.679 |
2 |
0 |
0 |
0.091 |
40 |
58 |
|
[SO4]B:100 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15794 |
62.4 |
-8.6 |
0.657 |
2 |
0 |
0 |
0.117 |
41 |
59 |
|
[GOL]A:277 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6596 |
62.0 |
-0.3 |
0.543 |
0 |
0 |
0 |
0.004 |
42 |
60 |
|
[SO4]D:278 |
5 |
1 |
186 |
f |
K |
x-1,y,z-1 |
1_454 |
9 |
4 |
6620 |
60.9 |
-8.1 |
0.859 |
1 |
0 |
0 |
0.081 |
43 |
61 |
|
[SO4]G:277 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
15870 |
60.7 |
-7.4 |
0.832 |
1 |
0 |
0 |
0.346 |
44 |
62 |
|
[SO4]J:278 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
15743 |
58.1 |
-7.2 |
0.813 |
0 |
0 |
0 |
0.297 |
45 |
63 |
|
B |
10 |
4 |
6596 |
◊ |
G |
x-1,y,z-1 |
1_454 |
8 |
4 |
15870 |
46.7 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
64 |
|
E |
10 |
4 |
6583 |
◊ |
J |
x-1,y,z-1 |
1_454 |
8 |
4 |
15743 |
46.7 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
Average: |
46.7 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[SO4]J:277 |
3 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
15743 |
40.3 |
-3.6 |
0.956 |
2 |
0 |
0 |
0.043 |
47 |
66 |
|
[SO4]E:104 |
5 |
1 |
188 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
2 |
15743 |
40.0 |
-5.2 |
0.398 |
0 |
0 |
0 |
0.022 |
48 |
67 |
|
[SO4]B:103 |
3 |
1 |
186 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
2 |
15870 |
37.9 |
-5.0 |
0.457 |
0 |
0 |
0 |
0.022 |
49 |
68 |
|
J |
6 |
4 |
15743 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
4 |
15870 |
31.9 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
50 |
69 |
|
[SO4]K:102 |
4 |
1 |
184 |
f |
[SO4]J:277 |
x,y,z |
1_555 |
4 |
1 |
186 |
20.6 |
-4.6 |
0.998 |
0 |
0 |
0 |
0.044 |
51 |
70 |
|
[SO4]J:278 |
1 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
6620 |
10.3 |
-1.4 |
0.602 |
0 |
0 |
0 |
0.014 |
52 |
71 |
|
[SO4]K:101 |
1 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
15743 |
9.1 |
-1.2 |
0.678 |
0 |
0 |
0 |
0.011 |
53 |
72 |
|
[SO4]H:101 |
1 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15870 |
7.9 |
-1.0 |
0.689 |
0 |
0 |
0 |
0.010 |
54 |
73 |
|
[SO4]G:277 |
1 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6597 |
7.7 |
-1.1 |
0.586 |
0 |
0 |
0 |
0.010 |
55 |
74 |
|
G |
2 |
2 |
15870 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
15784 |
4.1 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
75 |
|
J |
2 |
2 |
15743 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15794 |
3.6 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
Average: |
3.9 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
|