## |
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 |
228 |
61 |
14731 |
◊ |
B |
x,y,z |
1_555 |
235 |
63 |
14642 |
2312.0 |
-2.2 |
0.448 |
54 |
23 |
0 |
1.000 |
2 |
|
C |
227 |
59 |
14751 |
◊ |
A |
x,y,z |
1_555 |
229 |
62 |
14658 |
2295.6 |
-2.8 |
0.439 |
54 |
23 |
0 |
1.000 |
Average: |
2303.8 |
-2.5 |
0.444 |
54 |
23 |
0 |
1.000 |
2 |
3 |
|
A |
65 |
18 |
14658 |
◊ |
C |
x-1,y,z-1 |
1_454 |
61 |
18 |
14751 |
530.8 |
1.2 |
0.652 |
13 |
15 |
0 |
0.000 |
4 |
|
B |
63 |
17 |
14642 |
◊ |
D |
x,y,z-1 |
1_554 |
59 |
17 |
14731 |
504.4 |
3.2 |
0.760 |
11 |
11 |
0 |
0.000 |
Average: |
517.6 |
2.2 |
0.706 |
12 |
13 |
0 |
0.000 |
3 |
5 |
|
C |
72 |
20 |
14751 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
14642 |
518.8 |
3.7 |
0.812 |
3 |
4 |
0 |
0.000 |
4 |
6 |
|
A |
41 |
15 |
14658 |
◊ |
C |
x-1,y,z |
1_455 |
45 |
13 |
14751 |
398.6 |
3.4 |
0.831 |
2 |
2 |
0 |
0.000 |
7 |
|
D |
39 |
10 |
14731 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
15 |
14642 |
354.1 |
1.3 |
0.652 |
3 |
2 |
0 |
0.000 |
Average: |
376.3 |
2.3 |
0.741 |
3 |
2 |
0 |
0.000 |
5 |
8 |
|
B |
43 |
13 |
14642 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
14658 |
366.2 |
0.7 |
0.601 |
2 |
3 |
0 |
0.000 |
6 |
9 |
|
D |
40 |
11 |
14731 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
28 |
8 |
14658 |
306.5 |
2.9 |
0.716 |
8 |
5 |
0 |
0.000 |
10 |
|
B |
28 |
8 |
14642 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
37 |
11 |
14751 |
304.5 |
3.2 |
0.743 |
5 |
7 |
0 |
0.000 |
Average: |
305.5 |
3.1 |
0.730 |
7 |
6 |
0 |
0.000 |
7 |
11 |
|
[MTA]C:402 |
19 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
53 |
21 |
14751 |
303.0 |
0.5 |
0.468 |
5 |
0 |
0 |
0.511 |
12 |
|
[MTA]D:402 |
19 |
1 |
447 |
f |
D |
x,y,z |
1_555 |
49 |
20 |
14731 |
299.5 |
0.5 |
0.473 |
5 |
0 |
0 |
0.511 |
13 |
|
[MTA]B:402 |
19 |
1 |
449 |
f |
B |
x,y,z |
1_555 |
47 |
20 |
14642 |
291.1 |
0.3 |
0.448 |
5 |
0 |
0 |
0.511 |
14 |
|
[MTA]A:402 |
19 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
46 |
20 |
14658 |
290.4 |
0.3 |
0.463 |
5 |
0 |
0 |
0.511 |
Average: |
296.0 |
0.4 |
0.463 |
5 |
0 |
0 |
0.511 |
8 |
15 |
|
[N4P]B:401 |
14 |
1 |
445 |
f |
B |
x,y,z |
1_555 |
54 |
17 |
14642 |
286.0 |
5.9 |
0.563 |
6 |
0 |
0 |
0.000 |
16 |
|
[N4P]A:401 |
14 |
1 |
442 |
f |
A |
x,y,z |
1_555 |
52 |
16 |
14658 |
282.3 |
5.9 |
0.576 |
8 |
0 |
0 |
0.000 |
Average: |
284.2 |
5.9 |
0.570 |
7 |
0 |
0 |
0.000 |
9 |
17 |
|
[N4P]D:401 |
14 |
1 |
434 |
f |
D |
x,y,z |
1_555 |
51 |
17 |
14731 |
272.8 |
5.7 |
0.548 |
12 |
0 |
0 |
0.000 |
10 |
18 |
|
[N4P]C:401 |
14 |
1 |
439 |
f |
C |
x,y,z |
1_555 |
48 |
17 |
14751 |
269.7 |
5.1 |
0.493 |
11 |
0 |
0 |
0.000 |
11 |
19 |
|
[MES]D:403 |
12 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
29 |
13 |
14731 |
220.3 |
6.9 |
0.368 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
17 |
5 |
14642 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
14 |
4 |
14658 |
143.6 |
1.6 |
0.786 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[MES]C:403 |
11 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
14751 |
141.8 |
3.8 |
0.108 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
D |
13 |
3 |
14731 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
14658 |
133.4 |
2.8 |
0.885 |
3 |
4 |
0 |
0.000 |
15 |
23 |
|
D |
20 |
7 |
14731 |
f |
[MES]C:403 |
-x+1,y-1/2,-z+3 |
2_648 |
11 |
1 |
338 |
127.4 |
3.2 |
0.063 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
D |
18 |
5 |
14731 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
19 |
7 |
14751 |
112.6 |
2.0 |
0.803 |
3 |
4 |
0 |
0.000 |
17 |
25 |
|
[MES]B:404 |
8 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14642 |
111.3 |
1.5 |
0.151 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[MES]B:404 |
6 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
14658 |
76.0 |
2.4 |
0.362 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[MES]B:404 |
5 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
14751 |
52.5 |
1.8 |
0.359 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[FE]B:403 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
14731 |
47.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.452 |
29 |
|
[FE]A:403 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
14658 |
47.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.452 |
30 |
|
[FE]A:403 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
14751 |
47.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.452 |
31 |
|
[FE]B:403 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
14642 |
47.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.452 |
Average: |
47.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.452 |
21 |
32 |
|
[MTA]B:402 |
3 |
1 |
449 |
f |
[N4P]B:401 |
x,y,z |
1_555 |
7 |
1 |
445 |
46.6 |
-0.7 |
0.076 |
0 |
0 |
0 |
0.174 |
33 |
|
[MTA]A:402 |
3 |
1 |
446 |
f |
[N4P]A:401 |
x,y,z |
1_555 |
6 |
1 |
442 |
45.2 |
-0.8 |
0.090 |
0 |
0 |
0 |
0.174 |
Average: |
45.9 |
-0.8 |
0.083 |
0 |
0 |
0 |
0.174 |
22 |
34 |
|
[MTA]C:402 |
4 |
1 |
452 |
f |
[N4P]C:401 |
x,y,z |
1_555 |
6 |
1 |
439 |
45.4 |
1.2 |
0.300 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[MTA]D:402 |
3 |
1 |
447 |
f |
[N4P]D:401 |
x,y,z |
1_555 |
6 |
1 |
434 |
44.1 |
-1.0 |
0.066 |
0 |
0 |
0 |
0.056 |
24 |
36 |
|
[MES]D:403 |
4 |
1 |
335 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
14642 |
36.3 |
1.4 |
0.290 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
A |
3 |
1 |
14658 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
14642 |
29.4 |
1.0 |
0.888 |
1 |
1 |
0 |
0.000 |
|