## |
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 |
|
D |
403 |
105 |
22465 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
391 |
100 |
22705 |
3482.6 |
-33.4 |
0.070 |
55 |
11 |
0 |
0.303 |
2 |
|
B |
385 |
98 |
22816 |
◊ |
B |
-x,-y+1,z |
2_565 |
385 |
98 |
22816 |
3399.7 |
-34.5 |
0.065 |
58 |
12 |
0 |
0.303 |
Average: |
3441.1 |
-34.0 |
0.068 |
57 |
12 |
0 |
0.303 |
2 |
3 |
|
D |
65 |
20 |
22465 |
◊ |
B |
x,y-1,z |
1_545 |
53 |
12 |
22816 |
504.5 |
-2.7 |
0.473 |
0 |
2 |
0 |
0.000 |
4 |
|
B |
41 |
16 |
22816 |
◊ |
D |
x,y,z-1 |
1_554 |
51 |
15 |
22465 |
359.0 |
-2.0 |
0.522 |
3 |
0 |
0 |
0.000 |
Average: |
431.8 |
-2.3 |
0.498 |
2 |
1 |
0 |
0.000 |
3 |
5 |
|
D |
52 |
18 |
22465 |
◊ |
A |
x,y-1,z |
1_545 |
64 |
13 |
22705 |
431.9 |
-2.0 |
0.536 |
3 |
2 |
0 |
0.000 |
4 |
6 |
|
B |
52 |
16 |
22816 |
◊ |
B |
-x,-y,z |
2_555 |
52 |
16 |
22816 |
381.9 |
3.4 |
0.904 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
45 |
12 |
22705 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
42 |
15 |
22705 |
363.7 |
0.1 |
0.638 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
D |
43 |
15 |
22465 |
◊ |
B |
x,y-1,z+1 |
1_546 |
48 |
13 |
22816 |
358.3 |
0.5 |
0.718 |
3 |
7 |
0 |
0.000 |
7 |
9 |
|
D |
25 |
10 |
22465 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
22705 |
251.4 |
1.3 |
0.785 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
29 |
8 |
22705 |
x |
A |
x,y-1,z |
1_545 |
26 |
5 |
22705 |
229.0 |
-0.6 |
0.564 |
0 |
2 |
0 |
0.000 |
9 |
11 |
|
A |
28 |
8 |
22705 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
22 |
7 |
22816 |
211.0 |
3.8 |
0.928 |
4 |
3 |
0 |
0.000 |
10 |
12 |
|
A |
22 |
9 |
22705 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
3_546 |
22 |
6 |
22465 |
209.4 |
-0.7 |
0.536 |
2 |
2 |
0 |
0.000 |
11 |
13 |
|
B |
27 |
12 |
22816 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
22705 |
201.7 |
0.9 |
0.764 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
D |
28 |
10 |
22465 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
22816 |
197.1 |
-0.5 |
0.566 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[MSK]B:703 |
8 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
22816 |
187.7 |
-25.1 |
0.160 |
4 |
0 |
0 |
0.263 |
16 |
|
[MSK]D:703 |
8 |
1 |
319 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
22465 |
187.3 |
-25.3 |
0.134 |
2 |
0 |
0 |
0.263 |
17 |
|
[MSK]A:703 |
8 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
22705 |
183.6 |
-24.7 |
0.131 |
2 |
0 |
0 |
0.263 |
Average: |
186.2 |
-25.0 |
0.142 |
3 |
0 |
0 |
0.263 |
14 |
18 |
|
[SF4]A:701 |
8 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
22705 |
182.7 |
-21.1 |
0.291 |
0 |
0 |
0 |
0.203 |
19 |
|
[SF4]B:701 |
8 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
22816 |
182.6 |
-20.8 |
0.352 |
0 |
0 |
0 |
0.203 |
20 |
|
[SF4]D:701 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
26 |
14 |
22465 |
180.7 |
-20.7 |
0.346 |
0 |
0 |
0 |
0.203 |
Average: |
182.0 |
-20.8 |
0.330 |
0 |
0 |
0 |
0.203 |
15 |
21 |
|
A |
27 |
7 |
22705 |
x |
A |
-x+1/2,y-1/2,-z |
3_545 |
19 |
6 |
22705 |
176.0 |
0.0 |
0.642 |
2 |
3 |
0 |
0.000 |
16 |
22 |
|
[CIT]A:705 |
12 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22705 |
146.3 |
0.2 |
0.373 |
1 |
0 |
0 |
0.001 |
17 |
23 |
|
B |
20 |
6 |
22816 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
11 |
4 |
22705 |
139.5 |
-0.8 |
0.499 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[PEG]B:708 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
22816 |
136.9 |
2.6 |
0.316 |
3 |
0 |
0 |
0.000 |
19 |
25 |
|
[BU3]B:705 |
6 |
1 |
232 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
22816 |
114.9 |
4.5 |
0.698 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[BU3]B:706 |
6 |
1 |
232 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
22816 |
114.2 |
1.5 |
0.469 |
3 |
0 |
0 |
0.000 |
21 |
27 |
|
[PO4]D:704 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
22465 |
106.4 |
-5.9 |
0.770 |
2 |
0 |
0 |
0.032 |
22 |
28 |
|
[FES]D:702 |
4 |
1 |
240 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
22465 |
104.3 |
-9.1 |
0.686 |
0 |
0 |
0 |
0.043 |
23 |
29 |
|
[BU3]B:707 |
6 |
1 |
233 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
22816 |
98.8 |
0.5 |
0.419 |
2 |
0 |
0 |
0.000 |
24 |
30 |
|
D |
14 |
5 |
22465 |
◊ |
[FES]A:702 |
-x+1/2,y-1/2,-z+1 |
3_546 |
4 |
1 |
239 |
92.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
31 |
|
[FES]B:702 |
4 |
1 |
240 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
22816 |
92.1 |
-8.6 |
0.323 |
1 |
0 |
0 |
0.089 |
26 |
32 |
|
[FES]B:702 |
4 |
1 |
240 |
◊ |
B |
-x,-y+1,z |
2_565 |
12 |
6 |
22816 |
86.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.063 |
27 |
33 |
|
[FES]A:702 |
4 |
1 |
239 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
22705 |
83.7 |
-9.3 |
0.119 |
0 |
0 |
0 |
0.044 |
28 |
34 |
|
D |
9 |
6 |
22465 |
◊ |
D |
-x,-y,z |
2_555 |
9 |
6 |
22465 |
82.0 |
0.9 |
0.797 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
10 |
4 |
22816 |
x |
B |
x,y-1,z |
1_545 |
14 |
6 |
22816 |
81.1 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[CIT]A:705 |
7 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
22816 |
71.1 |
0.9 |
0.504 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
[PO4]A:704 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22705 |
68.6 |
-4.0 |
0.741 |
1 |
0 |
0 |
0.021 |
32 |
38 |
|
[PO4]D:705 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22465 |
68.6 |
-3.3 |
0.867 |
2 |
0 |
0 |
0.020 |
33 |
39 |
|
[FES]D:702 |
4 |
1 |
240 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
9 |
4 |
22705 |
62.5 |
-4.9 |
0.000 |
1 |
0 |
0 |
0.026 |
34 |
40 |
|
[PO4]B:704 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
22816 |
58.1 |
-3.4 |
0.768 |
1 |
0 |
0 |
0.037 |
35 |
41 |
|
[PO4]A:704 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
22816 |
55.3 |
-2.8 |
0.786 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[FES]D:702 |
4 |
1 |
240 |
◊ |
[FES]A:702 |
-x+1/2,y-1/2,-z+1 |
3_546 |
4 |
1 |
239 |
53.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
43 |
|
[FES]B:702 |
4 |
1 |
240 |
◊ |
[FES]B:702 |
-x,-y+1,z |
2_565 |
4 |
1 |
240 |
50.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
44 |
|
B |
4 |
3 |
22816 |
f |
[BU3]B:705 |
x,y-1,z |
1_545 |
3 |
1 |
232 |
46.3 |
-0.5 |
0.214 |
0 |
0 |
0 |
0.005 |
39 |
45 |
|
D |
8 |
3 |
22465 |
x |
D |
x,y-1,z |
1_545 |
2 |
1 |
22465 |
42.7 |
0.7 |
0.818 |
0 |
1 |
0 |
0.000 |
40 |
46 |
|
[PO4]B:704 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22705 |
41.8 |
-0.9 |
0.935 |
3 |
0 |
0 |
0.000 |
41 |
47 |
|
[CIT]A:705 |
4 |
1 |
313 |
f |
[BU3]B:707 |
x,y,z |
1_555 |
5 |
1 |
233 |
41.6 |
0.5 |
0.345 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[BU3]B:707 |
2 |
1 |
233 |
f |
[PO4]A:704 |
x,y,z |
1_555 |
3 |
1 |
187 |
38.9 |
-0.9 |
0.706 |
0 |
0 |
0 |
0.004 |
43 |
49 |
|
[BU3]B:707 |
2 |
1 |
233 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
22705 |
33.0 |
0.9 |
0.448 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
B |
3 |
2 |
22816 |
◊ |
D |
-x,-y,z-1 |
2_554 |
5 |
2 |
22465 |
30.1 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
D |
2 |
1 |
22465 |
◊ |
D |
-x,-y-1,z |
2_545 |
2 |
1 |
22465 |
25.5 |
1.7 |
0.962 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[BU3]B:705 |
4 |
1 |
232 |
◊ |
B |
-x,-y+1,z |
2_565 |
2 |
1 |
22816 |
25.4 |
1.1 |
0.437 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[PO4]D:704 |
3 |
1 |
188 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
3 |
2 |
22705 |
21.6 |
-1.3 |
0.715 |
0 |
0 |
0 |
0.006 |
48 |
54 |
|
[PO4]D:705 |
1 |
1 |
188 |
◊ |
D |
-x,-y,z |
2_555 |
1 |
1 |
22465 |
18.3 |
-0.3 |
0.882 |
1 |
0 |
0 |
0.000 |
49 |
55 |
|
[SF4]D:701 |
3 |
1 |
308 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
7 |
4 |
22705 |
12.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
56 |
|
[SF4]B:701 |
3 |
1 |
310 |
◊ |
B |
-x,-y+1,z |
2_565 |
5 |
3 |
22816 |
6.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
57 |
|
D |
2 |
2 |
22465 |
◊ |
[SF4]A:701 |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
310 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
7.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
50 |
58 |
|
D |
1 |
1 |
22465 |
◊ |
[MSK]A:703 |
-x+1/2,y-1/2,-z+1 |
3_546 |
2 |
1 |
320 |
7.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
59 |
|
[MSK]B:703 |
2 |
1 |
322 |
◊ |
B |
-x,-y+1,z |
2_565 |
1 |
1 |
22816 |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
60 |
|
[MSK]D:703 |
2 |
1 |
319 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
22705 |
5.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
6.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
51 |
61 |
|
[CIT]A:705 |
2 |
1 |
313 |
f |
[PO4]A:704 |
x,y,z |
1_555 |
3 |
1 |
187 |
6.4 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.001 |
52 |
62 |
|
D |
1 |
1 |
22465 |
◊ |
B |
-x,-y,z |
2_555 |
1 |
1 |
22816 |
1.9 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[BU3]B:706 |
1 |
1 |
232 |
f |
B |
-x,-y,z |
2_555 |
1 |
1 |
22816 |
1.4 |
0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
|