## |
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 |
|
A |
65 |
16 |
7153 |
◊ |
D |
x,y-1,z |
1_545 |
61 |
15 |
7288 |
550.4 |
3.2 |
0.707 |
15 |
5 |
0 |
0.037 |
2 |
|
C |
56 |
15 |
7128 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
7071 |
480.2 |
0.8 |
0.539 |
14 |
4 |
0 |
0.037 |
Average: |
515.3 |
2.0 |
0.623 |
15 |
5 |
0 |
0.037 |
2 |
3 |
|
B |
40 |
16 |
7071 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
38 |
16 |
7288 |
375.0 |
-2.1 |
0.312 |
3 |
6 |
0 |
0.000 |
4 |
|
C |
41 |
16 |
7128 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
33 |
14 |
7153 |
357.8 |
-3.4 |
0.193 |
0 |
3 |
0 |
0.000 |
Average: |
366.4 |
-2.7 |
0.252 |
2 |
5 |
0 |
0.000 |
3 |
5 |
|
C |
37 |
11 |
7128 |
◊ |
A |
-x,y,-z-1 |
2_554 |
36 |
11 |
7153 |
318.1 |
3.2 |
0.757 |
11 |
2 |
0 |
0.018 |
6 |
|
D |
37 |
11 |
7288 |
◊ |
B |
-x,y,-z |
2_555 |
33 |
12 |
7071 |
310.2 |
2.3 |
0.691 |
10 |
2 |
0 |
0.018 |
Average: |
314.1 |
2.7 |
0.724 |
11 |
2 |
0 |
0.018 |
4 |
7 |
|
[O4B]B:1706 |
16 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
7071 |
187.7 |
-2.2 |
0.735 |
1 |
0 |
0 |
0.019 |
5 |
8 |
|
[O4B]C:1706 |
15 |
1 |
455 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
7128 |
182.4 |
-2.3 |
0.768 |
3 |
0 |
0 |
0.023 |
6 |
9 |
|
[O4B]D:1703 |
14 |
1 |
452 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
7288 |
181.3 |
-2.8 |
0.718 |
2 |
0 |
0 |
0.027 |
7 |
10 |
|
[O4B]A:1705 |
17 |
1 |
460 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
7153 |
181.2 |
-2.2 |
0.769 |
3 |
0 |
0 |
0.026 |
8 |
11 |
|
B |
12 |
4 |
7071 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
12 |
5 |
7153 |
144.8 |
2.9 |
0.864 |
2 |
0 |
0 |
0.000 |
12 |
|
C |
12 |
5 |
7128 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
12 |
5 |
7288 |
141.7 |
1.9 |
0.761 |
1 |
0 |
0 |
0.000 |
Average: |
143.2 |
2.4 |
0.812 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[O4B]D:1704 |
15 |
1 |
444 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
7288 |
142.9 |
-1.0 |
0.854 |
3 |
0 |
0 |
0.017 |
10 |
14 |
|
[O4B]A:1706 |
15 |
1 |
449 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
7153 |
138.2 |
-0.8 |
0.858 |
3 |
0 |
0 |
0.000 |
11 |
15 |
|
[SO4]B:1703 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
7071 |
119.2 |
-16.8 |
0.680 |
5 |
0 |
0 |
0.138 |
12 |
16 |
|
[SO4]C:1703 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
7128 |
116.5 |
-15.9 |
0.680 |
6 |
0 |
0 |
0.117 |
13 |
17 |
|
A |
12 |
3 |
7153 |
◊ |
C |
-x,y-1,-z-1 |
2_544 |
12 |
4 |
7128 |
115.9 |
1.5 |
0.728 |
2 |
0 |
0 |
0.000 |
18 |
|
B |
9 |
3 |
7071 |
◊ |
D |
-x,y-1,-z |
2_545 |
13 |
3 |
7288 |
103.0 |
0.3 |
0.574 |
2 |
0 |
0 |
0.000 |
Average: |
109.5 |
0.9 |
0.651 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]A:1704 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7153 |
115.7 |
-16.0 |
0.722 |
2 |
0 |
0 |
0.125 |
15 |
20 |
|
[O4B]A:1706 |
10 |
1 |
449 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
7288 |
110.0 |
-2.3 |
0.570 |
0 |
0 |
0 |
0.017 |
16 |
21 |
|
B |
11 |
4 |
7071 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
4 |
7071 |
103.5 |
0.8 |
0.660 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[GOL]B:1709 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
7071 |
101.3 |
0.3 |
0.525 |
4 |
0 |
0 |
0.011 |
18 |
23 |
|
[SO4]A:1702 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7153 |
97.9 |
-13.2 |
0.913 |
4 |
0 |
0 |
0.111 |
19 |
24 |
|
[SO4]C:1701 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
7128 |
97.6 |
-13.3 |
0.906 |
5 |
0 |
0 |
0.098 |
20 |
25 |
|
[SO4]D:1701 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
7288 |
96.6 |
-13.1 |
0.908 |
5 |
0 |
0 |
0.113 |
21 |
26 |
|
[SO4]B:1702 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7071 |
95.1 |
-13.0 |
0.908 |
5 |
0 |
0 |
0.111 |
22 |
27 |
|
[GOL]B:1708 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7071 |
94.7 |
0.5 |
0.553 |
4 |
0 |
0 |
0.009 |
23 |
28 |
|
[SO4]C:1702 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
7128 |
94.2 |
-14.1 |
0.751 |
4 |
0 |
0 |
0.101 |
24 |
29 |
|
[SO4]B:1705 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
7071 |
93.0 |
-13.8 |
0.750 |
4 |
0 |
0 |
0.114 |
25 |
30 |
|
[GOL]B:1707 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
7071 |
92.6 |
-0.9 |
0.374 |
1 |
0 |
0 |
0.009 |
26 |
31 |
|
[GOL]C:1707 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
7128 |
89.8 |
-0.5 |
0.467 |
4 |
0 |
0 |
0.014 |
27 |
32 |
|
C |
9 |
2 |
7128 |
◊ |
C |
-x,y,-z-1 |
2_554 |
9 |
2 |
7128 |
88.8 |
0.2 |
0.583 |
2 |
0 |
0 |
0.000 |
28 |
33 |
|
[GOL]A:1709 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7153 |
87.8 |
0.9 |
0.730 |
4 |
0 |
0 |
0.007 |
29 |
34 |
|
[SO4]D:1702 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7288 |
86.2 |
-12.3 |
0.787 |
4 |
0 |
0 |
0.104 |
30 |
35 |
|
[O4B]D:1704 |
10 |
1 |
444 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7153 |
85.7 |
-1.4 |
0.607 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[GOL]A:1708 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7153 |
84.6 |
-0.2 |
0.511 |
1 |
0 |
0 |
0.005 |
32 |
37 |
|
[SO4]A:1701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7153 |
83.2 |
-12.1 |
0.782 |
4 |
0 |
0 |
0.103 |
33 |
38 |
|
[SO4]A:1703 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
7153 |
81.5 |
-10.7 |
0.767 |
6 |
0 |
0 |
0.099 |
34 |
39 |
|
[SO4]B:1701 |
5 |
1 |
186 |
f |
D |
-x,y,-z |
2_555 |
15 |
6 |
7288 |
81.5 |
-10.8 |
0.761 |
6 |
0 |
0 |
0.100 |
35 |
40 |
|
[SO4]C:1705 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7128 |
74.8 |
-10.5 |
0.706 |
2 |
0 |
0 |
0.072 |
36 |
41 |
|
[GOL]B:1707 |
5 |
1 |
220 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
10 |
3 |
7153 |
74.8 |
0.7 |
0.653 |
2 |
0 |
0 |
0.000 |
37 |
42 |
|
[SO4]B:1701 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
7071 |
74.3 |
-9.7 |
0.751 |
7 |
0 |
0 |
0.094 |
38 |
43 |
|
[GOL]A:1707 |
4 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
7288 |
73.9 |
-0.3 |
0.469 |
1 |
0 |
0 |
0.006 |
39 |
44 |
|
[SO4]A:1703 |
5 |
1 |
185 |
◊ |
C |
-x,y,-z-1 |
2_554 |
13 |
6 |
7128 |
73.4 |
-9.8 |
0.748 |
7 |
0 |
0 |
0.082 |
40 |
45 |
|
[SO4]C:1704 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7128 |
72.5 |
-10.1 |
0.673 |
1 |
0 |
0 |
0.067 |
41 |
46 |
|
[SO4]B:1704 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
7071 |
71.5 |
-9.3 |
0.837 |
3 |
0 |
0 |
0.077 |
42 |
47 |
|
[GOL]A:1707 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7153 |
69.5 |
1.3 |
0.707 |
3 |
0 |
0 |
0.000 |
43 |
48 |
|
D |
10 |
4 |
7288 |
◊ |
C |
-x,y,-z-1 |
2_554 |
8 |
3 |
7128 |
63.7 |
0.3 |
0.609 |
0 |
0 |
0 |
0.000 |
49 |
|
B |
8 |
3 |
7071 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
4 |
7153 |
59.7 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
61.7 |
0.2 |
0.584 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[O4B]D:1703 |
5 |
1 |
452 |
f |
[O4B]A:1706 |
x,y,z |
1_555 |
4 |
1 |
449 |
53.2 |
-1.5 |
0.898 |
0 |
0 |
0 |
0.011 |
45 |
51 |
|
C |
6 |
3 |
7128 |
◊ |
[GOL]A:1709 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
214 |
53.0 |
0.1 |
0.621 |
1 |
0 |
0 |
0.000 |
46 |
52 |
|
[GOL]B:1709 |
4 |
1 |
221 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
7288 |
52.1 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[SO4]B:1702 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
7128 |
46.7 |
-5.4 |
0.799 |
0 |
0 |
0 |
0.033 |
48 |
54 |
|
[SO4]C:1701 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7071 |
45.3 |
-5.3 |
0.784 |
0 |
0 |
0 |
0.033 |
49 |
55 |
|
[O4B]D:1704 |
5 |
1 |
444 |
◊ |
[O4B]A:1705 |
x,y,z |
1_555 |
5 |
1 |
460 |
44.3 |
-1.3 |
0.938 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
A |
11 |
4 |
7153 |
◊ |
[SO4]D:1701 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
43.9 |
-5.3 |
0.791 |
0 |
0 |
0 |
0.039 |
51 |
57 |
|
[SO4]A:1702 |
4 |
1 |
186 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
4 |
7288 |
43.6 |
-5.3 |
0.789 |
0 |
0 |
0 |
0.039 |
52 |
58 |
|
[SO4]B:1704 |
4 |
1 |
184 |
◊ |
D |
-x,y-1,-z |
2_545 |
6 |
2 |
7288 |
42.4 |
-5.4 |
0.756 |
2 |
0 |
0 |
0.000 |
53 |
59 |
|
A |
6 |
2 |
7153 |
◊ |
[SO4]C:1704 |
-x,y-1,-z-1 |
2_544 |
4 |
1 |
185 |
41.0 |
-5.3 |
0.759 |
1 |
0 |
0 |
0.000 |
54 |
60 |
|
[GOL]B:1708 |
3 |
1 |
222 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
7128 |
33.4 |
-1.2 |
0.093 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
B |
2 |
1 |
7071 |
◊ |
[GOL]C:1707 |
x,y-1,z |
1_545 |
4 |
1 |
216 |
31.5 |
-1.2 |
0.077 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[GOL]A:1707 |
3 |
1 |
221 |
f |
[O4B]A:1706 |
x,y,z |
1_555 |
4 |
1 |
449 |
29.8 |
-0.3 |
0.672 |
0 |
0 |
0 |
0.002 |
57 |
63 |
|
D |
5 |
3 |
7288 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
7128 |
29.5 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[O4B]C:1706 |
3 |
1 |
455 |
◊ |
[O4B]C:1706 |
-x,y,-z-1 |
2_554 |
3 |
1 |
455 |
27.1 |
-0.9 |
0.913 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[GOL]A:1707 |
3 |
1 |
221 |
f |
[O4B]D:1704 |
x,y,z |
1_555 |
4 |
1 |
444 |
26.5 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[GOL]A:1708 |
3 |
1 |
218 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
4_544 |
3 |
1 |
7288 |
26.2 |
0.4 |
0.634 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[O4B]B:1706 |
3 |
1 |
461 |
◊ |
[O4B]B:1706 |
-x,y,-z |
2_555 |
3 |
1 |
461 |
24.2 |
-0.7 |
0.914 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[O4B]D:1704 |
5 |
1 |
444 |
f |
[O4B]A:1706 |
x,y,z |
1_555 |
2 |
1 |
449 |
23.7 |
-0.6 |
0.925 |
0 |
0 |
0 |
0.004 |
63 |
69 |
|
B |
6 |
3 |
7071 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
4 |
7128 |
21.0 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
D |
4 |
3 |
7288 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
7153 |
15.4 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[SO4]C:1705 |
2 |
1 |
185 |
◊ |
A |
-x,y,-z-1 |
2_554 |
3 |
2 |
7153 |
10.3 |
-1.3 |
0.756 |
0 |
0 |
0 |
0.008 |
66 |
72 |
|
B |
1 |
1 |
7071 |
◊ |
[SO4]C:1703 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
8.5 |
-0.9 |
0.791 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
[SO4]A:1702 |
1 |
1 |
186 |
◊ |
[SO4]D:1701 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
7.8 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.014 |
68 |
74 |
|
[SO4]B:1703 |
1 |
1 |
186 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
7128 |
7.0 |
-0.8 |
0.788 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[SO4]C:1701 |
1 |
1 |
185 |
◊ |
[SO4]B:1702 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.4 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.008 |
70 |
76 |
|
[O4B]B:1706 |
1 |
1 |
461 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
7153 |
5.1 |
-0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
71 |
77 |
|
[GOL]B:1708 |
1 |
1 |
222 |
f |
[SO4]B:1705 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.2 |
-0.5 |
0.707 |
0 |
0 |
0 |
0.003 |
72 |
78 |
|
A |
1 |
1 |
7153 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
7288 |
0.4 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|