## |
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 |
|
C |
131 |
38 |
13243 |
◊ |
A |
x,y,z |
1_555 |
142 |
40 |
12933 |
1364.5 |
-11.4 |
0.218 |
14 |
6 |
0 |
0.519 |
2 |
|
C |
140 |
39 |
13243 |
◊ |
B |
x,y,z |
1_555 |
131 |
39 |
13002 |
1351.6 |
-13.4 |
0.141 |
13 |
6 |
0 |
0.519 |
3 |
|
B |
140 |
40 |
13002 |
◊ |
A |
x,y,z |
1_555 |
126 |
35 |
12933 |
1313.3 |
-13.5 |
0.140 |
14 |
7 |
0 |
0.519 |
Average: |
1343.1 |
-12.7 |
0.166 |
14 |
6 |
0 |
0.519 |
2 |
4 |
|
[COA]C:303 |
42 |
1 |
886 |
f |
C |
x,y,z |
1_555 |
56 |
18 |
13243 |
470.0 |
3.1 |
0.622 |
10 |
0 |
0 |
0.007 |
5 |
|
[COA]B:303 |
40 |
1 |
884 |
f |
B |
x,y,z |
1_555 |
57 |
18 |
13002 |
466.7 |
4.4 |
0.749 |
9 |
0 |
0 |
0.007 |
6 |
|
[COA]A:303 |
39 |
1 |
886 |
f |
A |
x,y,z |
1_555 |
54 |
18 |
12933 |
460.0 |
3.9 |
0.700 |
7 |
0 |
0 |
0.007 |
Average: |
465.6 |
3.8 |
0.691 |
9 |
0 |
0 |
0.007 |
3 |
7 |
|
C |
31 |
7 |
13243 |
◊ |
B |
-x,y,-z-1 |
2_554 |
38 |
8 |
13002 |
329.7 |
-1.2 |
0.550 |
3 |
4 |
0 |
0.003 |
4 |
8 |
|
A |
35 |
10 |
12933 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
35 |
9 |
13002 |
305.8 |
-1.8 |
0.496 |
1 |
1 |
0 |
0.000 |
9 |
|
A |
33 |
8 |
12933 |
◊ |
C |
x,y-1,z |
1_545 |
38 |
11 |
13243 |
305.0 |
-1.3 |
0.514 |
1 |
1 |
0 |
0.000 |
10 |
|
C |
35 |
8 |
13243 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
40 |
11 |
13002 |
299.0 |
-1.1 |
0.548 |
2 |
2 |
0 |
0.000 |
Average: |
303.3 |
-1.4 |
0.520 |
1 |
1 |
0 |
0.000 |
5 |
11 |
|
A |
33 |
7 |
12933 |
◊ |
A |
-x,y,-z-1 |
2_554 |
33 |
7 |
12933 |
280.2 |
-2.4 |
0.436 |
2 |
2 |
0 |
0.001 |
6 |
12 |
|
B |
17 |
6 |
13002 |
◊ |
A |
-x,y,-z-1 |
2_554 |
24 |
6 |
12933 |
207.0 |
-0.9 |
0.484 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
B |
19 |
5 |
13002 |
◊ |
A |
-x,y,-z |
2_555 |
20 |
5 |
12933 |
189.6 |
-4.0 |
0.144 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
20 |
5 |
13243 |
◊ |
C |
-x,y,-z |
2_555 |
20 |
5 |
13243 |
182.9 |
-4.0 |
0.137 |
0 |
0 |
0 |
0.000 |
Average: |
186.2 |
-4.0 |
0.140 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
A |
20 |
5 |
12933 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
5 |
13002 |
149.9 |
3.3 |
0.915 |
4 |
0 |
0 |
0.000 |
16 |
|
C |
13 |
3 |
13243 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
12933 |
115.4 |
2.5 |
0.877 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
10 |
4 |
13243 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
13 |
3 |
13002 |
78.0 |
0.6 |
0.713 |
1 |
0 |
0 |
0.000 |
Average: |
114.4 |
2.1 |
0.835 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
[COA]A:303 |
14 |
1 |
886 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
13243 |
145.3 |
1.2 |
0.342 |
0 |
0 |
0 |
0.000 |
19 |
|
[COA]B:303 |
15 |
1 |
884 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12933 |
143.3 |
0.6 |
0.311 |
0 |
0 |
0 |
0.000 |
20 |
|
[COA]C:303 |
13 |
1 |
886 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13002 |
142.2 |
1.1 |
0.349 |
0 |
0 |
0 |
0.000 |
Average: |
143.6 |
1.0 |
0.334 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
[PYR]B:302 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
13002 |
116.6 |
2.8 |
0.536 |
4 |
0 |
0 |
0.000 |
22 |
|
[PYR]A:302 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
12933 |
116.2 |
2.8 |
0.519 |
4 |
0 |
0 |
0.000 |
23 |
|
[PYR]C:302 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
13243 |
115.3 |
2.6 |
0.476 |
4 |
0 |
0 |
0.000 |
Average: |
116.0 |
2.8 |
0.510 |
4 |
0 |
0 |
0.000 |
11 |
24 |
|
[GOL]A:306 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
12933 |
102.7 |
0.1 |
0.635 |
6 |
0 |
0 |
0.022 |
12 |
25 |
|
[GOL]A:307 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12933 |
100.9 |
0.1 |
0.574 |
1 |
0 |
0 |
0.003 |
13 |
26 |
|
[GOL]B:304 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13002 |
99.8 |
0.2 |
0.634 |
5 |
0 |
0 |
0.023 |
14 |
27 |
|
C |
9 |
3 |
13243 |
◊ |
C |
-x,y,-z-1 |
2_554 |
9 |
3 |
13243 |
98.9 |
-2.4 |
0.147 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
B |
15 |
6 |
13002 |
◊ |
B |
-x,y,-z-1 |
2_554 |
15 |
6 |
13002 |
98.6 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[PO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
13243 |
98.5 |
-5.6 |
0.795 |
6 |
0 |
0 |
0.072 |
17 |
30 |
|
[GOL]C:305 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
13243 |
97.2 |
0.3 |
0.668 |
5 |
0 |
0 |
0.017 |
18 |
31 |
|
[GOL]C:306 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
13002 |
88.8 |
-0.4 |
0.508 |
0 |
0 |
0 |
0.004 |
19 |
32 |
|
[GOL]C:306 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
13243 |
80.0 |
0.4 |
0.652 |
2 |
0 |
0 |
0.004 |
20 |
33 |
|
[GOL]A:307 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13002 |
80.0 |
0.4 |
0.684 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
[GOL]C:305 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13002 |
80.0 |
-0.5 |
0.520 |
1 |
0 |
0 |
0.008 |
22 |
35 |
|
[GOL]B:304 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12933 |
66.7 |
-0.3 |
0.521 |
1 |
0 |
0 |
0.006 |
23 |
36 |
|
[GOL]A:306 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
13243 |
66.0 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.005 |
24 |
37 |
|
[PO4]A:305 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12933 |
57.7 |
-3.7 |
0.663 |
1 |
0 |
0 |
0.036 |
25 |
38 |
|
[PO4]A:304 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12933 |
56.4 |
-1.6 |
0.966 |
4 |
0 |
0 |
0.029 |
26 |
39 |
|
A |
6 |
2 |
12933 |
◊ |
[COA]C:303 |
x,y-1,z |
1_545 |
5 |
1 |
886 |
56.3 |
-2.7 |
0.257 |
2 |
0 |
0 |
0.000 |
40 |
|
C |
7 |
2 |
13243 |
◊ |
[COA]B:303 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
884 |
55.4 |
-2.9 |
0.210 |
2 |
0 |
0 |
0.000 |
41 |
|
[COA]A:303 |
5 |
1 |
886 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
6 |
2 |
13002 |
53.8 |
-2.4 |
0.273 |
2 |
0 |
0 |
0.000 |
Average: |
55.2 |
-2.7 |
0.247 |
2 |
0 |
0 |
0.000 |
27 |
42 |
|
[PO4]A:304 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
13243 |
56.1 |
-1.9 |
0.950 |
3 |
0 |
0 |
0.028 |
28 |
43 |
|
[PO4]A:304 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13002 |
56.1 |
-1.7 |
0.964 |
3 |
0 |
0 |
0.026 |
29 |
44 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12933 |
36.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.136 |
45 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13002 |
36.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.136 |
46 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
13243 |
36.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
36.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.136 |
30 |
47 |
|
[PYR]C:302 |
4 |
1 |
215 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.080 |
48 |
|
[PYR]B:302 |
4 |
1 |
216 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.080 |
49 |
|
[PYR]A:302 |
4 |
1 |
216 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
28.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.080 |
31 |
50 |
|
[COA]B:303 |
2 |
1 |
884 |
f |
[PYR]B:302 |
x,y,z |
1_555 |
4 |
1 |
216 |
25.2 |
0.0 |
0.528 |
0 |
0 |
0 |
0.004 |
51 |
|
[COA]C:303 |
2 |
1 |
886 |
f |
[PYR]C:302 |
x,y,z |
1_555 |
3 |
1 |
215 |
22.9 |
-0.4 |
0.435 |
0 |
0 |
0 |
0.004 |
52 |
|
[COA]A:303 |
2 |
1 |
886 |
f |
[PYR]A:302 |
x,y,z |
1_555 |
3 |
1 |
216 |
22.8 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.004 |
Average: |
23.7 |
-0.2 |
0.485 |
0 |
0 |
0 |
0.004 |
32 |
53 |
|
[PYR]A:302 |
3 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
13243 |
19.1 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
54 |
|
[PYR]B:302 |
3 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12933 |
17.6 |
0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
55 |
|
[PYR]C:302 |
2 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13002 |
17.5 |
0.0 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
18.1 |
0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13002 |
10.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
57 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12933 |
9.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
58 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13243 |
9.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
10.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
59 |
|
C |
1 |
1 |
13243 |
x |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
13243 |
6.4 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[PO4]C:304 |
1 |
1 |
187 |
◊ |
[COA]B:303 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
884 |
4.4 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
A |
1 |
1 |
12933 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
13002 |
1.8 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
1 |
1 |
12933 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
13243 |
1.2 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
1 |
1 |
13002 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
13243 |
0.3 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
|