## |
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 |
|
G |
158 |
44 |
6626 |
◊ |
F |
x,y,z |
1_555 |
157 |
44 |
6776 |
1457.8 |
-17.1 |
0.106 |
29 |
4 |
0 |
0.694 |
2 |
|
H |
150 |
42 |
6679 |
◊ |
E |
x,y,z |
1_555 |
154 |
43 |
6688 |
1436.5 |
-15.6 |
0.089 |
29 |
4 |
0 |
0.694 |
Average: |
1447.2 |
-16.4 |
0.097 |
29 |
4 |
0 |
0.694 |
2 |
3 |
|
B |
98 |
24 |
5337 |
◊ |
A |
x,y,z |
1_555 |
98 |
25 |
5275 |
882.0 |
-9.6 |
0.100 |
23 |
0 |
0 |
1.000 |
4 |
|
D |
98 |
25 |
5386 |
◊ |
C |
x,y,z |
1_555 |
98 |
26 |
5378 |
881.8 |
-10.7 |
0.100 |
20 |
0 |
0 |
1.000 |
Average: |
881.9 |
-10.2 |
0.100 |
22 |
0 |
0 |
1.000 |
3 |
5 |
|
J |
80 |
16 |
4156 |
◊ |
H |
x,y,z |
1_555 |
99 |
25 |
6679 |
828.0 |
-7.3 |
0.628 |
17 |
2 |
0 |
1.000 |
6 |
|
I |
78 |
15 |
3996 |
◊ |
F |
x,y,z |
1_555 |
97 |
24 |
6776 |
808.0 |
-8.3 |
0.580 |
16 |
0 |
0 |
1.000 |
Average: |
818.0 |
-7.8 |
0.604 |
17 |
1 |
0 |
1.000 |
4 |
7 |
|
L |
78 |
17 |
4118 |
◊ |
G |
x,y,z |
1_555 |
98 |
25 |
6626 |
806.0 |
-9.1 |
0.536 |
13 |
1 |
0 |
0.545 |
8 |
|
K |
75 |
17 |
4168 |
◊ |
E |
x,y,z |
1_555 |
93 |
22 |
6688 |
773.0 |
-9.3 |
0.438 |
15 |
1 |
0 |
0.545 |
Average: |
789.5 |
-9.2 |
0.487 |
14 |
1 |
0 |
0.545 |
5 |
9 |
|
J |
60 |
11 |
4156 |
◊ |
D |
x,y,z |
1_555 |
81 |
20 |
5386 |
631.9 |
-7.5 |
0.455 |
16 |
0 |
0 |
1.000 |
10 |
|
I |
57 |
11 |
3996 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
5275 |
629.4 |
-7.1 |
0.436 |
18 |
0 |
0 |
1.000 |
Average: |
630.7 |
-7.3 |
0.446 |
17 |
0 |
0 |
1.000 |
6 |
11 |
|
K |
58 |
12 |
4168 |
◊ |
C |
x,y,z |
1_555 |
71 |
19 |
5378 |
576.1 |
-5.4 |
0.503 |
15 |
0 |
0 |
1.000 |
12 |
|
L |
55 |
11 |
4118 |
◊ |
B |
x,y,z |
1_555 |
78 |
21 |
5337 |
563.0 |
-5.1 |
0.502 |
14 |
0 |
0 |
1.000 |
Average: |
569.5 |
-5.2 |
0.503 |
15 |
0 |
0 |
1.000 |
7 |
13 |
|
L |
27 |
10 |
4118 |
◊ |
F |
x,y,z |
1_555 |
49 |
17 |
6776 |
369.4 |
-4.6 |
0.371 |
2 |
0 |
0 |
0.094 |
14 |
|
K |
29 |
11 |
4168 |
◊ |
H |
x,y,z |
1_555 |
43 |
17 |
6679 |
361.8 |
-5.3 |
0.331 |
1 |
2 |
0 |
0.094 |
Average: |
365.6 |
-5.0 |
0.351 |
2 |
1 |
0 |
0.094 |
8 |
15 |
|
J |
29 |
12 |
4156 |
◊ |
E |
x,y,z |
1_555 |
43 |
14 |
6688 |
351.1 |
-4.7 |
0.353 |
4 |
2 |
0 |
0.078 |
16 |
|
I |
25 |
10 |
3996 |
◊ |
G |
x,y,z |
1_555 |
41 |
14 |
6626 |
329.0 |
-4.6 |
0.339 |
3 |
2 |
0 |
0.078 |
Average: |
340.1 |
-4.7 |
0.346 |
4 |
2 |
0 |
0.078 |
9 |
17 |
|
L |
35 |
10 |
4118 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
34 |
10 |
4168 |
321.6 |
-1.5 |
0.828 |
5 |
0 |
0 |
0.000 |
10 |
18 |
|
L |
30 |
8 |
4118 |
◊ |
K |
x,y,z |
1_555 |
28 |
7 |
4168 |
291.5 |
-3.9 |
0.628 |
5 |
0 |
0 |
0.074 |
11 |
19 |
|
B |
33 |
11 |
5337 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
33 |
11 |
5378 |
275.5 |
6.3 |
0.945 |
9 |
4 |
0 |
0.000 |
12 |
20 |
|
G |
22 |
9 |
6626 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
6688 |
237.5 |
1.8 |
0.814 |
6 |
0 |
0 |
0.011 |
13 |
21 |
|
I |
19 |
6 |
3996 |
◊ |
G |
x,-y,-z |
4_555 |
25 |
7 |
6626 |
217.6 |
0.1 |
0.744 |
7 |
0 |
0 |
0.000 |
14 |
22 |
|
J |
22 |
8 |
4156 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
26 |
8 |
6688 |
199.1 |
-0.0 |
0.731 |
6 |
0 |
0 |
0.000 |
15 |
23 |
|
J |
19 |
7 |
4156 |
◊ |
J |
-x,y,-z+1/2 |
3_555 |
19 |
7 |
4156 |
188.5 |
-2.3 |
0.588 |
0 |
0 |
0 |
0.000 |
24 |
|
I |
17 |
7 |
3996 |
◊ |
I |
x,-y,-z |
4_555 |
17 |
7 |
3996 |
120.4 |
-0.9 |
0.735 |
0 |
0 |
0 |
0.000 |
Average: |
154.5 |
-1.6 |
0.661 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
J |
20 |
6 |
4156 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
5378 |
173.3 |
-0.3 |
0.505 |
2 |
1 |
0 |
0.047 |
26 |
|
I |
17 |
5 |
3996 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
5337 |
171.6 |
-0.4 |
0.565 |
4 |
2 |
0 |
0.047 |
Average: |
172.4 |
-0.4 |
0.535 |
3 |
2 |
0 |
0.047 |
17 |
27 |
|
H |
19 |
6 |
6679 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
16 |
3 |
5378 |
158.9 |
-0.7 |
0.490 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
13 |
3 |
5337 |
◊ |
F |
x-1/2,y-1/2,z |
5_445 |
18 |
5 |
6776 |
143.1 |
0.1 |
0.578 |
3 |
0 |
0 |
0.000 |
Average: |
151.0 |
-0.3 |
0.534 |
2 |
0 |
0 |
0.000 |
18 |
29 |
|
K |
19 |
5 |
4168 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
5386 |
157.5 |
-0.5 |
0.516 |
3 |
2 |
0 |
0.019 |
30 |
|
L |
18 |
5 |
4118 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
5275 |
155.5 |
-0.7 |
0.468 |
3 |
1 |
0 |
0.019 |
Average: |
156.5 |
-0.6 |
0.492 |
3 |
2 |
0 |
0.019 |
19 |
31 |
|
A |
16 |
3 |
5275 |
◊ |
F |
x-1/2,y-1/2,z |
5_445 |
21 |
5 |
6776 |
147.2 |
-0.8 |
0.497 |
1 |
0 |
0 |
0.000 |
32 |
|
H |
19 |
5 |
6679 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
11 |
2 |
5386 |
139.6 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
Average: |
143.4 |
-0.6 |
0.519 |
1 |
0 |
0 |
0.000 |
20 |
33 |
|
L |
16 |
5 |
4118 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
9 |
3 |
5386 |
142.5 |
-1.7 |
0.217 |
1 |
0 |
0 |
0.000 |
34 |
|
A |
10 |
3 |
5275 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
16 |
5 |
4168 |
134.6 |
-0.9 |
0.596 |
2 |
0 |
0 |
0.000 |
Average: |
138.5 |
-1.3 |
0.406 |
2 |
0 |
0 |
0.000 |
21 |
35 |
|
J |
14 |
5 |
4156 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
12 |
3 |
5386 |
138.9 |
0.2 |
0.675 |
2 |
0 |
0 |
0.000 |
36 |
|
I |
12 |
4 |
3996 |
◊ |
A |
x,-y,-z |
4_555 |
9 |
2 |
5275 |
94.2 |
0.7 |
0.709 |
1 |
0 |
0 |
0.000 |
Average: |
116.5 |
0.5 |
0.692 |
2 |
0 |
0 |
0.000 |
22 |
37 |
|
K |
14 |
4 |
4168 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
6626 |
138.3 |
2.1 |
0.903 |
4 |
1 |
0 |
0.000 |
38 |
|
L |
12 |
3 |
4118 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
6688 |
116.3 |
0.2 |
0.744 |
1 |
0 |
0 |
0.000 |
Average: |
127.3 |
1.1 |
0.824 |
3 |
1 |
0 |
0.001 |
23 |
39 |
|
G |
12 |
5 |
6626 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
5337 |
121.7 |
0.3 |
0.657 |
0 |
0 |
0 |
0.007 |
40 |
|
E |
8 |
4 |
6688 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
5378 |
73.1 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.007 |
Average: |
97.4 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.007 |
24 |
41 |
|
H |
12 |
5 |
6679 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
6776 |
101.5 |
1.1 |
0.784 |
1 |
1 |
0 |
0.000 |
25 |
42 |
|
E |
15 |
3 |
6688 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
15 |
3 |
6688 |
97.0 |
0.6 |
0.681 |
2 |
2 |
0 |
0.000 |
26 |
43 |
|
[SO4]E:112 |
5 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
6688 |
87.1 |
-11.7 |
0.886 |
4 |
0 |
0 |
0.455 |
27 |
44 |
|
H |
11 |
5 |
6679 |
◊ |
J |
x-1/2,y-1/2,z |
5_445 |
11 |
3 |
4156 |
86.3 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
45 |
|
I |
5 |
2 |
3996 |
◊ |
F |
x-1/2,y-1/2,z |
5_445 |
4 |
2 |
6776 |
30.8 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
Average: |
58.6 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
[SO4]G:112 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
6626 |
84.6 |
-11.7 |
0.889 |
4 |
0 |
0 |
0.473 |
29 |
47 |
|
G |
10 |
4 |
6626 |
◊ |
A |
x,-y,-z |
4_555 |
10 |
5 |
5275 |
83.0 |
0.7 |
0.732 |
2 |
4 |
0 |
0.000 |
30 |
48 |
|
H |
7 |
3 |
6679 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
7 |
3 |
6679 |
79.5 |
2.7 |
0.942 |
4 |
6 |
0 |
0.000 |
31 |
49 |
|
[SO4]D:90 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
5386 |
70.4 |
-9.3 |
0.875 |
4 |
0 |
0 |
0.314 |
32 |
50 |
|
B |
8 |
4 |
5337 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
11 |
3 |
4168 |
69.6 |
-0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
8 |
2 |
4118 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
6 |
2 |
5378 |
56.5 |
-0.6 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
63.1 |
-0.3 |
0.637 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
[SO4]C:90 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
5378 |
69.5 |
-9.1 |
0.734 |
4 |
0 |
0 |
0.475 |
34 |
53 |
|
E |
9 |
4 |
6688 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
9 |
4 |
5386 |
68.3 |
0.7 |
0.751 |
3 |
4 |
0 |
0.000 |
35 |
54 |
|
K |
5 |
2 |
4168 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
6 |
3 |
5378 |
68.3 |
1.2 |
0.730 |
1 |
0 |
0 |
0.000 |
55 |
|
B |
7 |
3 |
5337 |
◊ |
L |
x-1/2,y-1/2,z |
5_445 |
5 |
2 |
4118 |
64.3 |
1.2 |
0.796 |
1 |
0 |
0 |
0.000 |
Average: |
66.3 |
1.2 |
0.763 |
1 |
0 |
0 |
0.000 |
36 |
56 |
|
[SO4]J:7 |
5 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
4156 |
64.4 |
-8.7 |
0.836 |
2 |
0 |
0 |
0.388 |
37 |
57 |
|
G |
6 |
2 |
6626 |
◊ |
G |
x,-y,-z |
4_555 |
6 |
2 |
6626 |
58.8 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
38 |
58 |
|
[SO4]E:112 |
4 |
1 |
183 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
4118 |
42.2 |
-4.6 |
0.915 |
2 |
0 |
0 |
0.067 |
39 |
59 |
|
[SO4]G:112 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
4168 |
42.1 |
-4.2 |
0.931 |
2 |
0 |
0 |
0.062 |
40 |
60 |
|
B |
7 |
3 |
5337 |
◊ |
[SO4]C:90 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
185 |
41.8 |
-5.2 |
0.658 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
L |
4 |
2 |
4118 |
◊ |
F |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
6776 |
39.1 |
0.6 |
0.804 |
1 |
0 |
0 |
0.000 |
62 |
|
H |
1 |
1 |
6679 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
4 |
3 |
4168 |
30.2 |
0.4 |
0.794 |
1 |
0 |
0 |
0.000 |
Average: |
34.7 |
0.5 |
0.799 |
1 |
0 |
0 |
0.000 |
42 |
63 |
|
K |
4 |
3 |
4168 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
6776 |
38.3 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
64 |
|
L |
3 |
2 |
4118 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
6679 |
37.3 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
Average: |
37.8 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
[SO4]J:7 |
4 |
1 |
184 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
6688 |
36.8 |
-3.7 |
0.920 |
2 |
0 |
0 |
0.000 |
44 |
66 |
|
[SO4]E:112 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
6626 |
28.0 |
-3.3 |
0.839 |
0 |
0 |
0 |
0.040 |
45 |
67 |
|
F |
3 |
2 |
6776 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
5275 |
27.9 |
0.6 |
0.794 |
1 |
0 |
0 |
0.000 |
46 |
68 |
|
C |
2 |
1 |
5378 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
5378 |
27.5 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
47 |
69 |
|
[SO4]G:112 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
6688 |
27.3 |
-3.4 |
0.747 |
0 |
0 |
0 |
0.041 |
48 |
70 |
|
H |
3 |
2 |
6679 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
5386 |
26.1 |
0.5 |
0.782 |
1 |
0 |
0 |
0.000 |
49 |
71 |
|
H |
2 |
1 |
6679 |
◊ |
[SO4]D:90 |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
186 |
23.6 |
-3.3 |
0.450 |
0 |
0 |
0 |
0.000 |
50 |
72 |
|
J |
4 |
2 |
4156 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
6679 |
20.1 |
0.6 |
0.798 |
0 |
0 |
0 |
0.000 |
51 |
73 |
|
A |
3 |
1 |
5275 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
5386 |
16.7 |
0.4 |
0.722 |
0 |
0 |
0 |
0.000 |
52 |
74 |
|
B |
1 |
1 |
5337 |
◊ |
G |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
6626 |
9.7 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
75 |
|
E |
2 |
1 |
6688 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
5378 |
5.4 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
Average: |
7.5 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
53 |
76 |
|
I |
1 |
1 |
3996 |
◊ |
F |
x,-y,-z |
4_555 |
1 |
1 |
6776 |
5.0 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
54 |
77 |
|
A |
2 |
1 |
5275 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
5378 |
4.3 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
78 |
|
B |
1 |
1 |
5337 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
5386 |
2.6 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
55 |
79 |
|
[SO4]J:7 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5386 |
1.4 |
-0.2 |
0.834 |
0 |
0 |
0 |
0.005 |
|