## |
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 |
|
E |
667 |
150 |
20282 |
◊ |
D |
x,y,z |
1_555 |
668 |
157 |
22837 |
6201.1 |
-78.5 |
0.017 |
74 |
26 |
0 |
0.437 |
2 |
|
B |
655 |
147 |
19885 |
◊ |
A |
x,y,z |
1_555 |
665 |
161 |
22775 |
6178.0 |
-75.0 |
0.027 |
88 |
26 |
0 |
0.437 |
Average: |
6189.5 |
-76.8 |
0.022 |
81 |
26 |
0 |
0.437 |
2 |
3 |
|
E |
215 |
58 |
20282 |
◊ |
A |
x,y,z |
1_555 |
195 |
40 |
22775 |
1941.4 |
-24.6 |
0.083 |
21 |
10 |
0 |
0.235 |
4 |
|
B |
198 |
56 |
19885 |
◊ |
D |
x,y,z |
1_555 |
189 |
40 |
22837 |
1912.4 |
-25.2 |
0.062 |
20 |
8 |
0 |
0.235 |
Average: |
1926.9 |
-24.9 |
0.072 |
21 |
9 |
0 |
0.235 |
3 |
5 |
|
E |
107 |
26 |
20282 |
◊ |
B |
x,y,z |
1_555 |
102 |
28 |
19885 |
956.3 |
-1.7 |
0.815 |
12 |
1 |
0 |
0.012 |
4 |
6 |
|
[SRM]B:570 |
56 |
1 |
1026 |
f |
B |
x,y,z |
1_555 |
73 |
28 |
19885 |
559.4 |
-12.4 |
0.822 |
22 |
0 |
0 |
0.148 |
7 |
|
[SRM]E:570 |
54 |
1 |
1006 |
f |
E |
x,y,z |
1_555 |
78 |
29 |
20282 |
553.5 |
-10.3 |
0.838 |
24 |
0 |
0 |
0.148 |
Average: |
556.4 |
-11.4 |
0.830 |
23 |
0 |
0 |
0.148 |
5 |
8 |
|
[SRM]D:580 |
57 |
1 |
1020 |
f |
D |
x,y,z |
1_555 |
70 |
23 |
22837 |
523.0 |
-9.4 |
0.921 |
12 |
0 |
0 |
0.105 |
9 |
|
[SRM]A:580 |
57 |
1 |
1035 |
f |
A |
x,y,z |
1_555 |
66 |
25 |
22775 |
499.3 |
-8.7 |
0.940 |
17 |
0 |
0 |
0.105 |
Average: |
511.1 |
-9.0 |
0.930 |
15 |
0 |
0 |
0.105 |
6 |
10 |
|
A |
35 |
12 |
22775 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
37 |
8 |
22837 |
322.4 |
-4.4 |
0.234 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[SRM]A:580 |
48 |
1 |
1035 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
19885 |
321.7 |
-11.7 |
0.330 |
6 |
0 |
0 |
0.052 |
12 |
|
[SRM]D:580 |
43 |
1 |
1020 |
◊ |
E |
x,y,z |
1_555 |
36 |
14 |
20282 |
320.2 |
-10.7 |
0.391 |
3 |
0 |
0 |
0.052 |
Average: |
320.9 |
-11.2 |
0.360 |
5 |
0 |
0 |
0.052 |
8 |
13 |
|
[SRM]B:570 |
44 |
1 |
1026 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
22775 |
281.4 |
-9.1 |
0.315 |
1 |
0 |
0 |
0.034 |
14 |
|
[SRM]E:570 |
41 |
1 |
1006 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
22837 |
279.3 |
-8.4 |
0.417 |
1 |
0 |
0 |
0.034 |
Average: |
280.4 |
-8.8 |
0.366 |
1 |
0 |
0 |
0.034 |
9 |
15 |
|
B |
25 |
8 |
19885 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
22775 |
191.7 |
-1.0 |
0.552 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
[SF4]A:576 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
22775 |
189.7 |
-21.4 |
0.414 |
0 |
0 |
0 |
0.138 |
17 |
|
[SF4]D:576 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
22837 |
180.6 |
-20.6 |
0.399 |
0 |
0 |
0 |
0.138 |
Average: |
185.2 |
-21.0 |
0.406 |
0 |
0 |
0 |
0.138 |
11 |
18 |
|
[SF4]B:586 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
28 |
15 |
19885 |
185.0 |
-21.3 |
0.393 |
0 |
0 |
0 |
0.142 |
19 |
|
[SF4]E:586 |
8 |
1 |
309 |
f |
E |
x,y,z |
1_555 |
28 |
15 |
20282 |
179.8 |
-21.0 |
0.469 |
0 |
0 |
0 |
0.142 |
Average: |
182.4 |
-21.1 |
0.431 |
0 |
0 |
0 |
0.142 |
12 |
20 |
|
B |
21 |
8 |
19885 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
22 |
8 |
22837 |
176.8 |
-0.6 |
0.601 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[SF4]E:585 |
8 |
1 |
310 |
cf |
E |
x,y,z |
1_555 |
23 |
12 |
20282 |
157.6 |
-16.9 |
0.309 |
1 |
0 |
0 |
0.119 |
22 |
|
[SF4]B:585 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
19885 |
152.9 |
-16.5 |
0.273 |
3 |
0 |
0 |
0.119 |
Average: |
155.2 |
-16.7 |
0.291 |
2 |
0 |
0 |
0.119 |
14 |
23 |
|
[SF4]A:575 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
22775 |
156.7 |
-17.3 |
0.293 |
2 |
0 |
0 |
0.119 |
24 |
|
[SF4]D:575 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
22837 |
153.1 |
-16.9 |
0.297 |
2 |
0 |
0 |
0.119 |
Average: |
154.9 |
-17.1 |
0.295 |
2 |
0 |
0 |
0.119 |
15 |
25 |
|
D |
19 |
8 |
22837 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
22775 |
152.7 |
-3.9 |
0.105 |
0 |
0 |
0 |
0.006 |
16 |
26 |
|
B |
20 |
7 |
19885 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
9 |
19885 |
148.9 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
D |
12 |
4 |
22837 |
◊ |
E |
-x+2,y-1/2,-z |
2_745 |
8 |
2 |
20282 |
87.0 |
0.6 |
0.757 |
1 |
1 |
0 |
0.000 |
18 |
28 |
|
[SF4]E:585 |
4 |
1 |
310 |
◊ |
[SRM]D:580 |
x,y,z |
1_555 |
24 |
1 |
1020 |
75.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.028 |
29 |
|
[SF4]B:585 |
4 |
1 |
309 |
◊ |
[SRM]A:580 |
x,y,z |
1_555 |
21 |
1 |
1035 |
73.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
74.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.028 |
19 |
30 |
|
[SF4]D:575 |
4 |
1 |
308 |
◊ |
[SRM]E:570 |
x,y,z |
1_555 |
22 |
1 |
1006 |
67.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.024 |
31 |
|
[SF4]A:575 |
4 |
1 |
309 |
◊ |
[SRM]B:570 |
x,y,z |
1_555 |
21 |
1 |
1026 |
67.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
67.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.024 |
20 |
32 |
|
E |
4 |
1 |
20282 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
2 |
22775 |
60.6 |
0.9 |
0.798 |
0 |
1 |
0 |
0.000 |
21 |
33 |
|
A |
5 |
2 |
22775 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
3 |
22837 |
56.9 |
-1.0 |
0.332 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[H2S]A:590 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
22775 |
52.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
23 |
35 |
|
[H2S]A:590 |
1 |
1 |
133 |
f |
[SRM]A:580 |
x,y,z |
1_555 |
19 |
1 |
1035 |
46.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.022 |
24 |
36 |
|
E |
5 |
4 |
20282 |
x |
E |
-x+1,y-1/2,-z |
2_645 |
8 |
5 |
20282 |
37.1 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
A |
3 |
2 |
22775 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
19885 |
35.1 |
1.3 |
0.886 |
1 |
2 |
0 |
0.000 |
26 |
38 |
|
D |
6 |
3 |
22837 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
22837 |
33.7 |
-0.6 |
0.440 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
E |
3 |
1 |
20282 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
22837 |
25.4 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[SF4]D:576 |
2 |
1 |
309 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
20282 |
10.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
41 |
|
[SF4]A:576 |
2 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19885 |
7.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
42 |
|
[H2S]A:590 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19885 |
9.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
30 |
43 |
|
A |
1 |
1 |
22775 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
20282 |
7.1 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[SF4]B:586 |
2 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22775 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
|
[SF4]E:586 |
2 |
1 |
309 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22837 |
5.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
5.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
32 |
46 |
|
A |
3 |
3 |
22775 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
19885 |
3.0 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
D |
1 |
1 |
22837 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
22837 |
1.3 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
B |
1 |
1 |
19885 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
19885 |
0.8 |
0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
|