## |
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 |
239 |
65 |
22610 |
◊ |
E |
x,y,z |
1_555 |
248 |
68 |
22508 |
2608.0 |
-37.6 |
0.001 |
11 |
1 |
0 |
0.182 |
2 |
|
B |
254 |
65 |
22596 |
◊ |
A |
x,y,z |
1_555 |
251 |
65 |
22266 |
2584.9 |
-35.7 |
0.003 |
12 |
4 |
0 |
0.182 |
3 |
|
D |
251 |
63 |
22497 |
◊ |
C |
x,y,z |
1_555 |
244 |
64 |
22273 |
2549.0 |
-35.2 |
0.002 |
14 |
2 |
0 |
0.182 |
Average: |
2580.6 |
-36.1 |
0.002 |
12 |
2 |
0 |
0.182 |
2 |
4 |
|
D |
103 |
28 |
22497 |
◊ |
B |
x,y,z |
1_555 |
104 |
29 |
22596 |
1036.6 |
-3.4 |
0.495 |
20 |
0 |
0 |
0.055 |
5 |
|
F |
101 |
26 |
22610 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
100 |
26 |
22610 |
1000.6 |
-4.9 |
0.377 |
18 |
0 |
0 |
0.055 |
6 |
|
E |
98 |
27 |
22508 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
98 |
27 |
22508 |
985.2 |
-4.6 |
0.397 |
22 |
0 |
0 |
0.055 |
7 |
|
C |
101 |
26 |
22273 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
22266 |
966.5 |
-4.6 |
0.417 |
20 |
1 |
0 |
0.055 |
Average: |
997.2 |
-4.4 |
0.422 |
20 |
0 |
0 |
0.055 |
3 |
8 |
|
F |
53 |
18 |
22610 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
50 |
17 |
22273 |
434.7 |
0.9 |
0.547 |
8 |
1 |
0 |
0.000 |
9 |
|
B |
50 |
17 |
22596 |
◊ |
F |
-y+1/2,x+1/2,z+1/2 |
3_555 |
45 |
15 |
22610 |
428.9 |
1.0 |
0.548 |
8 |
1 |
0 |
0.000 |
10 |
|
E |
41 |
14 |
22508 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
47 |
16 |
22497 |
428.0 |
1.3 |
0.524 |
8 |
1 |
0 |
0.000 |
11 |
|
D |
46 |
15 |
22497 |
◊ |
A |
-y+3/2,x+1/2,z-1/2 |
3_654 |
47 |
16 |
22266 |
419.0 |
1.6 |
0.618 |
6 |
1 |
0 |
0.000 |
12 |
|
A |
40 |
15 |
22266 |
◊ |
E |
-y+1/2,x+1/2,z+1/2 |
3_555 |
50 |
17 |
22508 |
414.5 |
0.1 |
0.533 |
5 |
0 |
0 |
0.000 |
13 |
|
C |
46 |
15 |
22273 |
◊ |
B |
-y+3/2,x+1/2,z-1/2 |
3_654 |
46 |
13 |
22596 |
403.9 |
0.4 |
0.569 |
7 |
1 |
0 |
0.000 |
Average: |
421.5 |
0.9 |
0.556 |
7 |
1 |
0 |
0.000 |
4 |
14 |
|
[GOL]A:510 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
22266 |
152.3 |
0.4 |
0.643 |
5 |
0 |
0 |
0.007 |
5 |
15 |
|
[SO4]D:505 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
22497 |
133.4 |
-19.2 |
0.681 |
3 |
0 |
0 |
0.073 |
6 |
16 |
|
[SO4]C:505 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
22273 |
123.5 |
-18.4 |
0.722 |
3 |
0 |
0 |
0.070 |
7 |
17 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
22596 |
120.1 |
-17.6 |
0.714 |
2 |
0 |
0 |
0.069 |
8 |
18 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
12 |
22273 |
114.4 |
-14.2 |
0.911 |
5 |
0 |
0 |
0.058 |
9 |
19 |
|
[SO4]D:507 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
22497 |
113.7 |
-19.5 |
0.658 |
10 |
0 |
0 |
0.085 |
10 |
20 |
|
[SO4]F:507 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
22610 |
113.1 |
-18.5 |
0.654 |
7 |
0 |
0 |
0.092 |
11 |
21 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
22596 |
112.9 |
-19.0 |
0.680 |
10 |
0 |
0 |
0.087 |
12 |
22 |
|
[SO4]E:507 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
22508 |
111.6 |
-18.6 |
0.668 |
7 |
0 |
0 |
0.093 |
13 |
23 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
13 |
22266 |
111.4 |
-14.1 |
0.911 |
3 |
0 |
0 |
0.057 |
14 |
24 |
|
[SO4]F:501 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
21 |
13 |
22610 |
110.4 |
-14.0 |
0.896 |
4 |
0 |
0 |
0.067 |
15 |
25 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
22266 |
109.9 |
-18.4 |
0.645 |
11 |
0 |
0 |
0.086 |
16 |
26 |
|
[SO4]C:507 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
22273 |
109.4 |
-18.3 |
0.684 |
8 |
0 |
0 |
0.077 |
17 |
27 |
|
[SO4]E:501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
21 |
13 |
22508 |
109.1 |
-14.1 |
0.891 |
4 |
0 |
0 |
0.068 |
28 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
14 |
22497 |
105.1 |
-13.9 |
0.872 |
5 |
0 |
0 |
0.068 |
Average: |
107.1 |
-14.0 |
0.882 |
5 |
0 |
0 |
0.068 |
18 |
29 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
22273 |
105.6 |
-16.8 |
0.627 |
3 |
0 |
0 |
0.068 |
30 |
|
[SO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
22596 |
103.0 |
-17.0 |
0.620 |
3 |
0 |
0 |
0.068 |
Average: |
104.3 |
-16.9 |
0.623 |
3 |
0 |
0 |
0.068 |
19 |
31 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
22266 |
103.9 |
-11.0 |
0.952 |
4 |
0 |
0 |
0.048 |
20 |
32 |
|
[SO4]F:502 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
10 |
22610 |
103.8 |
-16.4 |
0.689 |
2 |
0 |
0 |
0.074 |
21 |
33 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
22497 |
103.6 |
-17.2 |
0.550 |
1 |
0 |
0 |
0.062 |
22 |
34 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
22596 |
102.8 |
-13.5 |
0.903 |
4 |
0 |
0 |
0.057 |
23 |
35 |
|
[SO4]C:506 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
22273 |
102.8 |
-11.7 |
0.934 |
5 |
0 |
0 |
0.049 |
24 |
36 |
|
[SO4]E:502 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
22508 |
102.4 |
-17.1 |
0.606 |
2 |
0 |
0 |
0.077 |
25 |
37 |
|
[SO4]D:506 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22497 |
100.2 |
-11.7 |
0.927 |
5 |
0 |
0 |
0.049 |
26 |
38 |
|
[SO4]C:508 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
22273 |
100.2 |
-12.5 |
0.824 |
2 |
0 |
0 |
0.047 |
27 |
39 |
|
[SO4]A:502 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
22266 |
99.8 |
-16.7 |
0.614 |
3 |
0 |
0 |
0.067 |
28 |
40 |
|
[SO4]F:508 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
22610 |
97.3 |
-11.1 |
0.922 |
2 |
0 |
0 |
0.051 |
29 |
41 |
|
E |
11 |
1 |
22508 |
◊ |
E |
-y+1,-x+1,-z |
8_665 |
11 |
1 |
22508 |
97.2 |
-2.4 |
0.150 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[SO4]E:503 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
22508 |
95.1 |
-10.0 |
0.934 |
3 |
0 |
0 |
0.048 |
31 |
43 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
22596 |
93.5 |
-10.5 |
0.912 |
4 |
0 |
0 |
0.045 |
32 |
44 |
|
[SO4]F:503 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
22610 |
93.1 |
-10.0 |
0.923 |
3 |
0 |
0 |
0.048 |
33 |
45 |
|
[SO4]C:503 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
22273 |
90.5 |
-11.5 |
0.852 |
3 |
0 |
0 |
0.045 |
34 |
46 |
|
[SO4]F:506 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
22610 |
90.2 |
-10.4 |
0.926 |
4 |
0 |
0 |
0.052 |
35 |
47 |
|
[SO4]A:508 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
22266 |
89.5 |
-11.8 |
0.807 |
2 |
0 |
0 |
0.047 |
36 |
48 |
|
[SO4]A:503 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22266 |
88.6 |
-10.1 |
0.916 |
2 |
0 |
0 |
0.041 |
37 |
49 |
|
[SO4]E:506 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
22508 |
86.8 |
-9.2 |
0.962 |
3 |
0 |
0 |
0.045 |
38 |
50 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
22596 |
85.3 |
-10.2 |
0.923 |
4 |
0 |
0 |
0.045 |
39 |
51 |
|
[SO4]D:503 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
22497 |
84.4 |
-10.0 |
0.890 |
3 |
0 |
0 |
0.040 |
40 |
52 |
|
D |
11 |
4 |
22497 |
◊ |
[GOL]A:509 |
-y+3/2,x+1/2,z-1/2 |
3_654 |
5 |
1 |
221 |
79.5 |
-0.2 |
0.523 |
2 |
0 |
0 |
0.000 |
41 |
53 |
|
[GOL]A:509 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22266 |
75.4 |
-1.2 |
0.356 |
1 |
0 |
0 |
0.006 |
42 |
54 |
|
A |
13 |
4 |
22266 |
◊ |
[GOL]E:508 |
-y+1/2,x+1/2,z+1/2 |
3_555 |
5 |
1 |
224 |
75.2 |
0.1 |
0.548 |
1 |
0 |
0 |
0.000 |
43 |
55 |
|
[SO4]E:504 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
22508 |
73.3 |
-8.7 |
0.783 |
0 |
0 |
0 |
0.037 |
44 |
56 |
|
[SO4]B:508 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
22596 |
71.7 |
-8.8 |
0.815 |
2 |
0 |
0 |
0.036 |
45 |
57 |
|
C |
11 |
2 |
22273 |
◊ |
A |
-x+1,-y+2,z |
2_675 |
12 |
2 |
22266 |
70.8 |
-1.6 |
0.290 |
0 |
0 |
0 |
0.000 |
58 |
|
D |
10 |
1 |
22497 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
11 |
2 |
22596 |
61.7 |
-1.3 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
66.2 |
-1.5 |
0.311 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[GOL]E:508 |
4 |
1 |
224 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
22508 |
67.2 |
-1.0 |
0.340 |
1 |
0 |
0 |
0.006 |
47 |
60 |
|
[SO4]D:504 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
22497 |
62.8 |
-7.9 |
0.731 |
0 |
0 |
0 |
0.028 |
48 |
61 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22266 |
61.2 |
-7.9 |
0.679 |
1 |
0 |
0 |
0.031 |
49 |
62 |
|
[SO4]B:504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
22596 |
52.8 |
-6.7 |
0.697 |
0 |
0 |
0 |
0.025 |
50 |
63 |
|
[SO4]D:504 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
22273 |
50.7 |
-6.2 |
0.734 |
0 |
0 |
0 |
0.022 |
51 |
64 |
|
[SO4]E:504 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
22610 |
46.8 |
-6.0 |
0.605 |
0 |
0 |
0 |
0.026 |
52 |
65 |
|
F |
7 |
2 |
22610 |
◊ |
F |
y,x,-z+1 |
7_556 |
7 |
2 |
22610 |
35.5 |
-0.4 |
0.479 |
0 |
0 |
0 |
0.000 |
53 |
66 |
|
[SO4]F:506 |
1 |
1 |
185 |
f |
[SO4]F:501 |
x,y,z |
1_555 |
1 |
1 |
186 |
18.4 |
-4.4 |
0.800 |
0 |
0 |
0 |
0.019 |
54 |
67 |
|
[SO4]C:506 |
3 |
1 |
186 |
f |
[SO4]C:501 |
x,y,z |
1_555 |
1 |
1 |
185 |
16.5 |
-3.9 |
0.891 |
0 |
0 |
0 |
0.014 |
55 |
68 |
|
[SO4]E:506 |
2 |
1 |
185 |
f |
[SO4]E:501 |
x,y,z |
1_555 |
3 |
1 |
186 |
16.3 |
-3.8 |
0.976 |
0 |
0 |
0 |
0.016 |
56 |
69 |
|
[SO4]B:506 |
4 |
1 |
185 |
f |
[SO4]B:501 |
x,y,z |
1_555 |
3 |
1 |
186 |
15.8 |
-3.4 |
0.995 |
0 |
0 |
0 |
0.013 |
57 |
70 |
|
[SO4]A:506 |
2 |
1 |
185 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.2 |
-3.2 |
0.876 |
0 |
0 |
0 |
0.012 |
58 |
71 |
|
E |
2 |
2 |
22508 |
◊ |
E |
y,x,-z |
7_555 |
2 |
2 |
22508 |
11.6 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
72 |
|
B |
2 |
1 |
22596 |
◊ |
B |
-y+1,-x+1,-z+1 |
8_666 |
2 |
1 |
22596 |
6.1 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
59 |
73 |
|
F |
2 |
1 |
22610 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
1 |
1 |
22508 |
10.2 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
60 |
74 |
|
[SO4]D:506 |
3 |
1 |
185 |
f |
[SO4]D:501 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.1 |
-2.4 |
0.976 |
0 |
0 |
0 |
0.009 |
61 |
75 |
|
[SO4]C:502 |
1 |
1 |
186 |
f |
[SO4]C:501 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.2 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
|