## |
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 |
203 |
55 |
16726 |
x |
F |
-y+1/2,x+1/2,z |
3_555 |
175 |
50 |
16726 |
1889.8 |
-25.8 |
0.017 |
14 |
6 |
0 |
0.400 |
2 |
|
E |
206 |
56 |
16735 |
x |
E |
-y+1/2,x-1/2,z |
3_545 |
171 |
48 |
16735 |
1864.1 |
-26.3 |
0.020 |
11 |
6 |
0 |
0.400 |
3 |
|
C |
176 |
46 |
16245 |
x |
C |
-y+1/2,x-1/2,z |
3_545 |
194 |
54 |
16245 |
1835.6 |
-25.4 |
0.028 |
9 |
6 |
0 |
0.400 |
4 |
|
A |
203 |
52 |
16222 |
x |
A |
-y+1/2,x-1/2,z |
3_545 |
171 |
45 |
16222 |
1810.2 |
-25.4 |
0.026 |
10 |
6 |
0 |
0.400 |
5 |
|
B |
190 |
53 |
16749 |
x |
B |
-y+1/2,x+1/2,z |
3_555 |
155 |
43 |
16749 |
1739.4 |
-26.3 |
0.017 |
10 |
6 |
0 |
0.400 |
6 |
|
D |
136 |
37 |
15713 |
x |
D |
-y+1/2,x+1/2,z |
3_555 |
150 |
43 |
15713 |
1375.3 |
-17.8 |
0.158 |
11 |
6 |
0 |
0.400 |
Average: |
1752.4 |
-24.5 |
0.044 |
11 |
6 |
0 |
0.400 |
2 |
7 |
|
F |
88 |
25 |
16726 |
◊ |
F |
y,x,-z+1 |
7_556 |
89 |
25 |
16726 |
825.6 |
3.0 |
0.890 |
20 |
8 |
0 |
0.000 |
3 |
8 |
|
F |
83 |
26 |
16726 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
6_456 |
82 |
27 |
16735 |
707.2 |
-0.7 |
0.746 |
8 |
0 |
0 |
0.025 |
9 |
|
C |
77 |
24 |
16245 |
◊ |
A |
x,y,z |
1_555 |
76 |
26 |
16222 |
674.8 |
0.2 |
0.812 |
12 |
0 |
0 |
0.025 |
Average: |
691.0 |
-0.2 |
0.779 |
10 |
0 |
0 |
0.025 |
4 |
10 |
|
B |
73 |
21 |
16749 |
◊ |
A |
y,x,-z |
7_555 |
68 |
20 |
16222 |
669.2 |
-0.8 |
0.779 |
10 |
7 |
0 |
0.039 |
5 |
11 |
|
D |
68 |
21 |
15713 |
◊ |
B |
x,y,z |
1_555 |
66 |
23 |
16749 |
626.5 |
-8.6 |
0.199 |
1 |
0 |
0 |
0.044 |
6 |
12 |
|
[FMN]D:401 |
31 |
1 |
615 |
f |
D |
x,y,z |
1_555 |
67 |
29 |
15713 |
409.5 |
-5.4 |
0.631 |
17 |
0 |
0 |
0.174 |
13 |
|
[FMN]E:401 |
31 |
1 |
607 |
f |
E |
x,y,z |
1_555 |
71 |
28 |
16735 |
407.0 |
-3.8 |
0.631 |
18 |
0 |
0 |
0.174 |
14 |
|
[FMN]F:401 |
31 |
1 |
600 |
f |
F |
x,y,z |
1_555 |
68 |
26 |
16726 |
402.0 |
-4.2 |
0.603 |
17 |
0 |
0 |
0.174 |
15 |
|
[FMN]B:401 |
31 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
68 |
27 |
16749 |
401.3 |
-3.3 |
0.649 |
16 |
0 |
0 |
0.174 |
16 |
|
[FMN]A:401 |
31 |
1 |
598 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
16222 |
395.7 |
-3.0 |
0.646 |
16 |
0 |
0 |
0.174 |
17 |
|
[FMN]C:401 |
31 |
1 |
591 |
f |
C |
x,y,z |
1_555 |
65 |
26 |
16245 |
393.3 |
-2.9 |
0.654 |
15 |
0 |
0 |
0.174 |
Average: |
401.5 |
-3.8 |
0.636 |
17 |
0 |
0 |
0.174 |
7 |
18 |
|
A |
34 |
12 |
16222 |
◊ |
A |
y,x,-z |
7_555 |
35 |
12 |
16222 |
312.4 |
3.7 |
0.938 |
4 |
4 |
0 |
0.000 |
8 |
19 |
|
F |
35 |
12 |
16726 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
15713 |
284.1 |
-0.4 |
0.683 |
3 |
2 |
0 |
0.000 |
9 |
20 |
|
C |
31 |
9 |
16245 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
26 |
7 |
16749 |
245.3 |
0.8 |
0.783 |
0 |
3 |
0 |
0.000 |
10 |
21 |
|
E |
23 |
4 |
16735 |
◊ |
C |
x,y,z |
1_555 |
29 |
4 |
16245 |
223.8 |
0.5 |
0.726 |
3 |
9 |
0 |
0.000 |
11 |
22 |
|
B |
19 |
7 |
16749 |
◊ |
A |
-y+1/2,x+1/2,z |
3_555 |
18 |
7 |
16222 |
135.0 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
B |
14 |
4 |
16749 |
◊ |
D |
-y+1/2,x+1/2,z |
3_555 |
15 |
7 |
15713 |
128.3 |
-2.7 |
0.220 |
0 |
0 |
0 |
0.013 |
13 |
24 |
|
A |
14 |
5 |
16222 |
◊ |
B |
-x+1/2,y-1/2,-z |
5_545 |
13 |
5 |
16749 |
103.9 |
2.0 |
0.902 |
0 |
1 |
0 |
0.000 |
14 |
25 |
|
[SO4]A:403 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
16222 |
103.0 |
-15.5 |
0.671 |
5 |
0 |
0 |
0.228 |
26 |
|
[SO4]B:403 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
16749 |
96.4 |
-16.0 |
0.512 |
8 |
0 |
0 |
0.228 |
Average: |
99.7 |
-15.7 |
0.591 |
7 |
0 |
0 |
0.228 |
15 |
27 |
|
[SO4]D:402 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
15713 |
102.6 |
-13.1 |
0.842 |
5 |
0 |
0 |
0.206 |
16 |
28 |
|
C |
13 |
4 |
16245 |
◊ |
A |
-y+1/2,x-1/2,z |
3_545 |
13 |
4 |
16222 |
96.1 |
-0.5 |
0.567 |
2 |
0 |
0 |
0.008 |
29 |
|
F |
11 |
4 |
16726 |
◊ |
E |
-y,-x+1,-z+1 |
8_566 |
12 |
4 |
16735 |
94.6 |
-0.5 |
0.549 |
2 |
0 |
0 |
0.008 |
Average: |
95.4 |
-0.5 |
0.558 |
2 |
0 |
0 |
0.008 |
17 |
30 |
|
[SO4]E:403 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
16735 |
95.9 |
-12.3 |
0.850 |
5 |
0 |
0 |
0.181 |
18 |
31 |
|
[SO4]F:402 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
11 |
16726 |
93.8 |
-13.9 |
0.789 |
6 |
0 |
0 |
0.195 |
19 |
32 |
|
[SO4]C:402 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
16245 |
91.1 |
-14.6 |
0.783 |
6 |
0 |
0 |
0.169 |
20 |
33 |
|
[SO4]C:405 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16245 |
89.0 |
-9.3 |
0.966 |
1 |
0 |
0 |
0.096 |
21 |
34 |
|
[SO4]E:402 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
16735 |
84.9 |
-10.6 |
0.838 |
3 |
0 |
0 |
0.149 |
22 |
35 |
|
[SO4]A:404 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
16222 |
78.6 |
-7.9 |
0.955 |
2 |
0 |
0 |
0.054 |
23 |
36 |
|
[SO4]B:406 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16749 |
77.9 |
-8.4 |
0.934 |
1 |
0 |
0 |
0.073 |
24 |
37 |
|
[SO4]D:403 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
15713 |
77.5 |
-10.8 |
0.900 |
3 |
0 |
0 |
0.163 |
25 |
38 |
|
F |
12 |
4 |
16726 |
f |
[SO4]F:403 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
184 |
76.0 |
-10.2 |
0.841 |
3 |
0 |
0 |
0.136 |
26 |
39 |
|
A |
9 |
3 |
16222 |
f |
[SO4]A:402 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
184 |
71.3 |
-9.8 |
0.815 |
3 |
0 |
0 |
0.123 |
27 |
40 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
16245 |
69.6 |
-8.9 |
0.873 |
3 |
0 |
0 |
0.100 |
28 |
41 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
16749 |
69.4 |
-8.7 |
0.946 |
3 |
0 |
0 |
0.082 |
29 |
42 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
16222 |
65.2 |
-8.9 |
0.803 |
3 |
0 |
0 |
0.114 |
30 |
43 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
16749 |
64.9 |
-8.9 |
0.821 |
2 |
0 |
0 |
0.081 |
31 |
44 |
|
[SO4]C:404 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16245 |
64.1 |
-8.9 |
0.805 |
2 |
0 |
0 |
0.096 |
32 |
45 |
|
[SO4]A:404 |
4 |
1 |
186 |
f |
B |
y,x,-z |
7_555 |
11 |
5 |
16749 |
62.9 |
-8.9 |
0.794 |
0 |
0 |
0 |
0.073 |
33 |
46 |
|
[SO4]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16749 |
57.5 |
-6.8 |
0.732 |
1 |
0 |
0 |
0.060 |
34 |
47 |
|
[SO4]B:404 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
7_555 |
5 |
3 |
16222 |
56.9 |
-6.1 |
0.862 |
1 |
0 |
0 |
0.040 |
35 |
48 |
|
[SO4]B:406 |
5 |
1 |
186 |
◊ |
A |
y,x,-z |
7_555 |
13 |
6 |
16222 |
54.9 |
-8.0 |
0.728 |
0 |
0 |
0 |
0.049 |
36 |
49 |
|
[SO4]F:403 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
16726 |
52.9 |
-6.2 |
0.848 |
1 |
0 |
0 |
0.079 |
37 |
50 |
|
[SO4]E:403 |
4 |
1 |
185 |
f |
[FMN]E:401 |
x,y,z |
1_555 |
16 |
1 |
607 |
51.5 |
-5.6 |
0.912 |
0 |
0 |
0 |
0.070 |
38 |
51 |
|
[SO4]F:402 |
4 |
1 |
184 |
f |
[FMN]F:401 |
x,y,z |
1_555 |
16 |
1 |
600 |
50.8 |
-5.5 |
0.920 |
0 |
0 |
0 |
0.065 |
39 |
52 |
|
[SO4]D:402 |
4 |
1 |
184 |
f |
[FMN]D:401 |
x,y,z |
1_555 |
14 |
1 |
615 |
48.8 |
-5.3 |
0.922 |
0 |
0 |
0 |
0.072 |
40 |
53 |
|
C |
5 |
1 |
16245 |
◊ |
[SO4]C:403 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
185 |
48.7 |
-5.3 |
0.930 |
1 |
0 |
0 |
0.056 |
41 |
54 |
|
[SO4]B:403 |
4 |
1 |
183 |
f |
[FMN]B:401 |
x,y,z |
1_555 |
14 |
1 |
597 |
47.8 |
-5.0 |
0.917 |
0 |
0 |
0 |
0.059 |
55 |
|
[SO4]A:403 |
4 |
1 |
182 |
f |
[FMN]A:401 |
x,y,z |
1_555 |
14 |
1 |
598 |
45.6 |
-4.6 |
0.907 |
0 |
0 |
0 |
0.059 |
Average: |
46.7 |
-4.8 |
0.912 |
0 |
0 |
0 |
0.059 |
42 |
56 |
|
[SO4]C:402 |
4 |
1 |
184 |
f |
[FMN]C:401 |
x,y,z |
1_555 |
15 |
1 |
591 |
46.4 |
-4.9 |
0.903 |
0 |
0 |
0 |
0.048 |
43 |
57 |
|
[SO4]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
16222 |
46.3 |
-5.4 |
0.843 |
1 |
0 |
0 |
0.064 |
44 |
58 |
|
[SO4]B:402 |
4 |
1 |
186 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
5 |
2 |
16749 |
45.9 |
-5.9 |
0.399 |
0 |
0 |
0 |
0.048 |
45 |
59 |
|
[SO4]C:405 |
4 |
1 |
186 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
4 |
2 |
16245 |
40.1 |
-4.2 |
0.969 |
1 |
0 |
0 |
0.046 |
46 |
60 |
|
D |
3 |
1 |
15713 |
◊ |
[SO4]D:403 |
-y+1/2,x+1/2,z |
3_555 |
4 |
1 |
186 |
39.7 |
-5.0 |
0.364 |
0 |
0 |
0 |
0.068 |
47 |
61 |
|
F |
4 |
2 |
16726 |
◊ |
E |
y,x,-z+1 |
7_556 |
3 |
2 |
16735 |
37.5 |
-1.0 |
0.184 |
0 |
0 |
0 |
0.006 |
62 |
|
A |
2 |
2 |
16222 |
◊ |
C |
-y+1/2,x-1/2,z |
3_545 |
3 |
2 |
16245 |
17.4 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.006 |
Average: |
27.5 |
-0.8 |
0.236 |
0 |
0 |
0 |
0.006 |
48 |
63 |
|
B |
4 |
2 |
16749 |
◊ |
[SO4]B:406 |
-y+1/2,x+1/2,z |
3_555 |
4 |
1 |
186 |
36.9 |
-3.6 |
0.971 |
1 |
0 |
0 |
0.034 |
49 |
64 |
|
[SO4]E:402 |
3 |
1 |
185 |
◊ |
E |
-y+1/2,x-1/2,z |
3_545 |
3 |
1 |
16735 |
32.6 |
-3.7 |
0.930 |
1 |
0 |
0 |
0.052 |
50 |
65 |
|
A |
3 |
1 |
16222 |
◊ |
[SO4]A:404 |
-y+1/2,x-1/2,z |
3_545 |
4 |
1 |
186 |
29.3 |
-2.8 |
0.971 |
1 |
0 |
0 |
0.014 |
51 |
66 |
|
C |
2 |
1 |
16245 |
◊ |
E |
-y+1/2,x-1/2,z |
3_545 |
1 |
1 |
16735 |
5.7 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|