## |
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 |
58 |
15 |
4051 |
◊ |
D |
x,y,z |
1_555 |
93 |
30 |
9774 |
705.8 |
-6.3 |
0.215 |
13 |
4 |
0 |
0.147 |
2 |
|
C |
58 |
15 |
4031 |
◊ |
B |
x,y,z |
1_555 |
96 |
30 |
9739 |
685.8 |
-7.0 |
0.202 |
12 |
4 |
0 |
0.147 |
3 |
|
E |
60 |
15 |
4033 |
◊ |
A |
x,y,z |
1_555 |
92 |
29 |
9679 |
674.8 |
-6.8 |
0.193 |
10 |
1 |
0 |
0.147 |
4 |
|
H |
58 |
14 |
4021 |
◊ |
G |
x,y,z |
1_555 |
88 |
27 |
9686 |
657.8 |
-7.9 |
0.160 |
10 |
1 |
0 |
0.147 |
Average: |
681.0 |
-7.0 |
0.193 |
11 |
3 |
0 |
0.147 |
2 |
5 |
|
B |
62 |
24 |
9739 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
60 |
22 |
9679 |
587.3 |
-5.5 |
0.218 |
7 |
0 |
0 |
0.091 |
3 |
6 |
|
H |
61 |
15 |
4021 |
◊ |
C |
x,y,z-1 |
1_554 |
46 |
11 |
4031 |
455.3 |
2.0 |
0.679 |
3 |
3 |
0 |
0.000 |
4 |
7 |
|
C |
51 |
13 |
4031 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
9679 |
441.0 |
-3.4 |
0.282 |
4 |
0 |
0 |
0.060 |
8 |
|
E |
48 |
13 |
4033 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
9739 |
430.4 |
-5.4 |
0.157 |
4 |
0 |
0 |
0.060 |
9 |
|
F |
49 |
12 |
4051 |
◊ |
G |
x,y,z |
1_555 |
47 |
14 |
9686 |
421.8 |
-5.2 |
0.175 |
4 |
0 |
0 |
0.060 |
10 |
|
H |
45 |
12 |
4021 |
◊ |
D |
x,y,z |
1_555 |
45 |
13 |
9774 |
415.6 |
-5.0 |
0.151 |
4 |
0 |
0 |
0.060 |
Average: |
427.2 |
-4.8 |
0.191 |
4 |
0 |
0 |
0.060 |
5 |
11 |
|
F |
48 |
12 |
4051 |
◊ |
E |
x-1,y,z-1 |
1_454 |
54 |
14 |
4033 |
425.4 |
-1.2 |
0.518 |
2 |
0 |
0 |
0.024 |
6 |
12 |
|
G |
38 |
14 |
9686 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
9679 |
386.8 |
-1.0 |
0.538 |
3 |
0 |
0 |
0.023 |
13 |
|
D |
40 |
13 |
9774 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
9739 |
354.5 |
-2.0 |
0.410 |
2 |
0 |
0 |
0.023 |
Average: |
370.7 |
-1.5 |
0.474 |
3 |
0 |
0 |
0.023 |
7 |
14 |
|
D |
30 |
11 |
9774 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
9679 |
288.6 |
1.6 |
0.764 |
2 |
3 |
0 |
0.000 |
15 |
|
G |
25 |
9 |
9686 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
9739 |
216.2 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.000 |
Average: |
252.4 |
0.6 |
0.667 |
1 |
2 |
0 |
0.001 |
8 |
16 |
|
E |
29 |
8 |
4033 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
34 |
13 |
9774 |
286.8 |
-3.6 |
0.222 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
D |
29 |
9 |
9774 |
◊ |
A |
x-1,y,z-1 |
1_454 |
29 |
9 |
9679 |
259.5 |
-2.6 |
0.294 |
2 |
1 |
0 |
0.024 |
18 |
|
G |
22 |
8 |
9686 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
9 |
9739 |
240.0 |
-1.4 |
0.438 |
2 |
1 |
0 |
0.024 |
Average: |
249.8 |
-2.0 |
0.366 |
2 |
1 |
0 |
0.024 |
10 |
19 |
|
G |
23 |
8 |
9686 |
◊ |
D |
x,y,z |
1_555 |
25 |
8 |
9774 |
173.5 |
-2.3 |
0.307 |
0 |
1 |
0 |
0.022 |
20 |
|
B |
20 |
7 |
9739 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
9679 |
139.2 |
-2.6 |
0.233 |
0 |
0 |
0 |
0.022 |
Average: |
156.3 |
-2.4 |
0.270 |
0 |
1 |
0 |
0.022 |
11 |
21 |
|
B |
15 |
5 |
9739 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
15 |
7 |
9774 |
132.4 |
1.5 |
0.789 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
G |
14 |
7 |
9686 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
5 |
9679 |
109.1 |
0.1 |
0.630 |
2 |
1 |
0 |
0.000 |
13 |
23 |
|
[SO4]F:103 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
5 |
4051 |
108.5 |
-15.4 |
0.695 |
3 |
0 |
0 |
0.194 |
14 |
24 |
|
[SO4]C:101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
4031 |
107.1 |
-16.3 |
0.686 |
3 |
0 |
0 |
0.200 |
15 |
25 |
|
[SO4]H:101 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
18 |
5 |
4021 |
102.7 |
-16.0 |
0.677 |
3 |
0 |
0 |
0.179 |
16 |
26 |
|
[SO4]E:101 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
20 |
5 |
4033 |
101.8 |
-15.9 |
0.686 |
3 |
0 |
0 |
0.200 |
17 |
27 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
9774 |
101.4 |
-16.8 |
0.565 |
4 |
0 |
0 |
0.180 |
18 |
28 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9739 |
97.6 |
-14.1 |
0.804 |
2 |
0 |
0 |
0.170 |
19 |
29 |
|
[SO4]G:307 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
9686 |
96.9 |
-14.6 |
0.791 |
2 |
0 |
0 |
0.153 |
20 |
30 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9679 |
95.5 |
-13.2 |
0.799 |
3 |
0 |
0 |
0.153 |
21 |
31 |
|
[SO4]G:301 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
9686 |
93.9 |
-12.6 |
0.809 |
3 |
0 |
0 |
0.137 |
22 |
32 |
|
[SO4]G:303 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
9686 |
89.5 |
-10.1 |
0.913 |
1 |
0 |
0 |
0.104 |
23 |
33 |
|
F |
5 |
3 |
4051 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
4 |
9679 |
89.0 |
2.1 |
0.876 |
0 |
1 |
0 |
0.000 |
24 |
34 |
|
[SO4]H:103 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
4021 |
88.9 |
-13.3 |
0.704 |
2 |
0 |
0 |
0.146 |
25 |
35 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9679 |
87.4 |
-12.9 |
0.766 |
2 |
0 |
0 |
0.146 |
26 |
36 |
|
[SO4]F:102 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
4051 |
87.0 |
-13.0 |
0.690 |
1 |
0 |
0 |
0.156 |
27 |
37 |
|
[SO4]G:302 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
16 |
7 |
9686 |
85.6 |
-12.2 |
0.795 |
2 |
0 |
0 |
0.129 |
28 |
38 |
|
G |
11 |
4 |
9686 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
4 |
4031 |
84.9 |
1.1 |
0.748 |
0 |
1 |
0 |
0.000 |
29 |
39 |
|
[SO4]G:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
9774 |
82.3 |
-11.9 |
0.754 |
3 |
0 |
0 |
0.128 |
30 |
40 |
|
[SO4]G:306 |
5 |
1 |
184 |
f |
B |
x,y,z-1 |
1_554 |
14 |
4 |
9739 |
82.1 |
-11.6 |
0.628 |
1 |
0 |
0 |
0.137 |
31 |
41 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9679 |
80.0 |
-10.2 |
0.798 |
0 |
0 |
0 |
0.107 |
32 |
42 |
|
[SO4]C:102 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
4031 |
79.2 |
-10.9 |
0.813 |
3 |
0 |
0 |
0.139 |
33 |
43 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
9774 |
78.6 |
-10.9 |
0.641 |
1 |
0 |
0 |
0.110 |
34 |
44 |
|
[SO4]H:102 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
4021 |
77.9 |
-10.4 |
0.840 |
3 |
0 |
0 |
0.121 |
35 |
45 |
|
[SO4]F:101 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
4051 |
77.2 |
-10.8 |
0.813 |
3 |
0 |
0 |
0.140 |
36 |
46 |
|
[SO4]E:102 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
4033 |
75.2 |
-10.2 |
0.829 |
3 |
0 |
0 |
0.134 |
37 |
47 |
|
[SO4]C:103 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
4031 |
73.4 |
-10.9 |
0.713 |
2 |
0 |
0 |
0.134 |
38 |
48 |
|
[SO4]F:102 |
4 |
1 |
184 |
◊ |
E |
x-1,y,z-1 |
1_454 |
10 |
4 |
4033 |
59.3 |
-7.1 |
0.821 |
2 |
0 |
0 |
0.092 |
39 |
49 |
|
[SO4]G:305 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
9686 |
55.6 |
-6.9 |
0.771 |
3 |
0 |
0 |
0.081 |
40 |
50 |
|
G |
7 |
4 |
9686 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
4021 |
54.7 |
1.1 |
0.645 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
B |
10 |
7 |
9739 |
◊ |
[SO4]A:303 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
54.5 |
-7.5 |
0.700 |
1 |
0 |
0 |
0.084 |
42 |
52 |
|
[SO4]G:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9679 |
51.8 |
-6.2 |
0.789 |
2 |
0 |
0 |
0.056 |
43 |
53 |
|
[SO4]G:303 |
5 |
1 |
186 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
9739 |
50.0 |
-6.7 |
0.833 |
0 |
0 |
0 |
0.066 |
44 |
54 |
|
[SO4]H:103 |
4 |
1 |
184 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
3 |
4031 |
46.5 |
-6.0 |
0.663 |
0 |
0 |
0 |
0.062 |
45 |
55 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9679 |
43.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.133 |
46 |
56 |
|
F |
5 |
1 |
4051 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
3 |
9774 |
42.9 |
0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[SO4]F:101 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
9774 |
41.3 |
-4.1 |
0.939 |
2 |
0 |
0 |
0.049 |
48 |
58 |
|
[SO4]H:102 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
4031 |
39.6 |
-3.4 |
0.954 |
2 |
0 |
0 |
0.044 |
49 |
59 |
|
[SO4]D:301 |
4 |
1 |
185 |
◊ |
A |
x-1,y,z-1 |
1_454 |
6 |
4 |
9679 |
39.5 |
-4.8 |
0.733 |
0 |
0 |
0 |
0.021 |
50 |
60 |
|
[SO4]G:306 |
3 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9686 |
39.2 |
-3.3 |
0.971 |
2 |
0 |
0 |
0.041 |
51 |
61 |
|
[SO4]G:304 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9686 |
38.3 |
-2.8 |
0.976 |
0 |
0 |
0 |
0.012 |
52 |
62 |
|
[SO4]E:102 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9679 |
37.7 |
-3.2 |
0.974 |
4 |
0 |
0 |
0.050 |
53 |
63 |
|
[SO4]G:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
9679 |
35.9 |
-3.6 |
0.901 |
0 |
0 |
0 |
0.016 |
54 |
64 |
|
[SO4]C:102 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9739 |
35.7 |
-3.3 |
0.966 |
2 |
0 |
0 |
0.047 |
55 |
65 |
|
F |
3 |
1 |
4051 |
◊ |
[SO4]E:102 |
x-1,y,z-1 |
1_454 |
4 |
1 |
186 |
34.2 |
-2.9 |
0.950 |
2 |
0 |
0 |
0.044 |
56 |
66 |
|
[SO4]A:302 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
9774 |
30.6 |
-3.0 |
0.916 |
0 |
0 |
0 |
0.014 |
57 |
67 |
|
H |
3 |
1 |
4021 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
9739 |
30.6 |
0.8 |
0.853 |
1 |
2 |
0 |
0.000 |
68 |
|
D |
3 |
1 |
9774 |
◊ |
E |
x-1,y,z-1 |
1_454 |
2 |
1 |
4033 |
25.2 |
0.8 |
0.852 |
1 |
1 |
0 |
0.000 |
Average: |
27.9 |
0.8 |
0.852 |
1 |
2 |
0 |
0.000 |
58 |
69 |
|
[SO4]H:102 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9686 |
29.0 |
-1.9 |
0.991 |
2 |
0 |
0 |
0.023 |
59 |
70 |
|
[SO4]F:103 |
2 |
1 |
185 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
9679 |
27.7 |
-3.2 |
0.846 |
0 |
0 |
0 |
0.014 |
60 |
71 |
|
G |
5 |
2 |
9686 |
◊ |
[SO4]C:101 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
26.3 |
-3.3 |
0.793 |
0 |
0 |
0 |
0.014 |
61 |
72 |
|
[SO4]G:302 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
9774 |
26.2 |
-2.3 |
0.942 |
0 |
0 |
0 |
0.010 |
62 |
73 |
|
[SO4]A:301 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4033 |
18.7 |
-1.9 |
0.931 |
0 |
0 |
0 |
0.019 |
63 |
74 |
|
[SO4]A:301 |
1 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
9686 |
17.0 |
-2.4 |
0.511 |
0 |
0 |
0 |
0.019 |
64 |
75 |
|
[SO4]G:301 |
2 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
4021 |
15.8 |
-1.7 |
0.901 |
0 |
0 |
0 |
0.014 |
65 |
76 |
|
[SO4]B:301 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4031 |
14.7 |
-1.6 |
0.820 |
0 |
0 |
0 |
0.019 |
66 |
77 |
|
[SO4]A:301 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9739 |
14.4 |
-2.1 |
0.446 |
0 |
0 |
0 |
0.010 |
67 |
78 |
|
[SO4]G:301 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9774 |
14.0 |
-2.0 |
0.460 |
0 |
0 |
0 |
0.009 |
68 |
79 |
|
D |
1 |
1 |
9774 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9679 |
13.7 |
0.3 |
0.855 |
0 |
0 |
0 |
0.000 |
69 |
80 |
|
[SO4]B:301 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9679 |
11.3 |
-1.6 |
0.487 |
0 |
0 |
0 |
0.008 |
70 |
81 |
|
[SO4]G:301 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9679 |
10.9 |
-1.5 |
0.372 |
0 |
0 |
0 |
0.012 |
71 |
82 |
|
[SO4]B:301 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9774 |
9.2 |
-1.2 |
0.404 |
0 |
0 |
0 |
0.006 |
72 |
83 |
|
[SO4]G:307 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9679 |
8.6 |
-0.9 |
0.748 |
0 |
0 |
0 |
0.007 |
73 |
84 |
|
F |
1 |
1 |
4051 |
◊ |
[SO4]E:101 |
x-1,y,z-1 |
1_454 |
1 |
1 |
185 |
6.6 |
-0.9 |
0.528 |
0 |
0 |
0 |
0.011 |
74 |
85 |
|
G |
1 |
1 |
9686 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
4031 |
5.9 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
75 |
86 |
|
[SO4]H:102 |
1 |
1 |
185 |
◊ |
[SO4]C:101 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.013 |
76 |
87 |
|
[SO4]C:103 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4033 |
5.3 |
-0.5 |
0.825 |
0 |
0 |
0 |
0.002 |
77 |
88 |
|
[SO4]C:103 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9739 |
4.9 |
-0.7 |
0.597 |
0 |
0 |
0 |
0.008 |
78 |
89 |
|
[SO4]H:101 |
1 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
4031 |
4.8 |
-0.7 |
0.571 |
0 |
0 |
0 |
0.007 |
79 |
90 |
|
[SO4]F:103 |
1 |
1 |
185 |
◊ |
[SO4]E:102 |
x-1,y,z-1 |
1_454 |
1 |
1 |
186 |
1.9 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
80 |
91 |
|
[SO4]G:302 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9739 |
0.7 |
-0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
|