## |
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 |
|
H |
215 |
55 |
13925 |
◊ |
E |
x,y,z |
1_555 |
210 |
53 |
14253 |
1961.3 |
-31.6 |
0.006 |
9 |
0 |
0 |
0.680 |
2 |
|
G |
206 |
52 |
13634 |
◊ |
F |
x,y,z |
1_555 |
198 |
52 |
14308 |
1900.8 |
-29.2 |
0.013 |
13 |
0 |
0 |
0.680 |
3 |
|
C |
197 |
50 |
13738 |
◊ |
B |
x,y,z |
1_555 |
193 |
50 |
14221 |
1867.1 |
-32.1 |
0.004 |
13 |
0 |
0 |
0.680 |
4 |
|
D |
200 |
49 |
13884 |
◊ |
A |
x,y,z |
1_555 |
198 |
50 |
14425 |
1846.1 |
-28.9 |
0.012 |
16 |
0 |
0 |
0.680 |
Average: |
1893.8 |
-30.4 |
0.009 |
13 |
0 |
0 |
0.680 |
2 |
5 |
|
D |
126 |
33 |
13884 |
◊ |
C |
x,y,z |
1_555 |
125 |
34 |
13738 |
1243.8 |
-13.7 |
0.165 |
15 |
9 |
0 |
0.582 |
6 |
|
B |
116 |
31 |
14221 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
14425 |
1224.9 |
-13.4 |
0.104 |
14 |
7 |
0 |
0.582 |
7 |
|
F |
121 |
33 |
14308 |
◊ |
E |
x,y,z |
1_555 |
120 |
32 |
14253 |
1216.9 |
-12.6 |
0.119 |
15 |
8 |
0 |
0.582 |
8 |
|
H |
115 |
33 |
13925 |
◊ |
G |
x,y,z |
1_555 |
119 |
33 |
13634 |
1151.6 |
-13.6 |
0.158 |
15 |
6 |
0 |
0.582 |
Average: |
1209.3 |
-13.3 |
0.136 |
15 |
8 |
0 |
0.582 |
3 |
9 |
|
[NAI]A:401 |
43 |
1 |
861 |
f |
A |
x,y,z |
1_555 |
85 |
34 |
14425 |
610.2 |
-6.6 |
0.465 |
9 |
0 |
0 |
0.562 |
10 |
|
[NAI]F:401 |
43 |
1 |
867 |
f |
F |
x,y,z |
1_555 |
81 |
35 |
14308 |
606.8 |
-6.7 |
0.432 |
12 |
0 |
0 |
0.562 |
11 |
|
[NAI]E:401 |
42 |
1 |
860 |
f |
E |
x,y,z |
1_555 |
84 |
36 |
14253 |
602.7 |
-6.8 |
0.452 |
16 |
0 |
0 |
0.562 |
12 |
|
[NAI]B:401 |
40 |
1 |
861 |
f |
B |
x,y,z |
1_555 |
81 |
33 |
14221 |
592.0 |
-7.5 |
0.348 |
13 |
0 |
0 |
0.562 |
13 |
|
[NAI]H:401 |
41 |
1 |
870 |
f |
H |
x,y,z |
1_555 |
74 |
32 |
13925 |
586.7 |
-4.4 |
0.584 |
9 |
0 |
0 |
0.562 |
14 |
|
[NAI]C:401 |
41 |
1 |
875 |
f |
C |
x,y,z |
1_555 |
73 |
31 |
13738 |
584.9 |
-4.7 |
0.576 |
9 |
0 |
0 |
0.562 |
15 |
|
[NAI]G:401 |
43 |
1 |
862 |
f |
G |
x,y,z |
1_555 |
72 |
32 |
13634 |
575.5 |
-4.4 |
0.601 |
8 |
0 |
0 |
0.562 |
16 |
|
[NAI]D:401 |
41 |
1 |
866 |
f |
D |
x,y,z |
1_555 |
71 |
31 |
13884 |
574.8 |
-4.8 |
0.515 |
11 |
0 |
0 |
0.562 |
Average: |
591.7 |
-5.7 |
0.497 |
11 |
0 |
0 |
0.562 |
4 |
17 |
|
G |
53 |
11 |
13634 |
◊ |
E |
x,y,z |
1_555 |
58 |
16 |
14253 |
514.0 |
2.0 |
0.853 |
6 |
3 |
0 |
0.028 |
18 |
|
H |
56 |
14 |
13925 |
◊ |
F |
x,y,z |
1_555 |
53 |
15 |
14308 |
507.2 |
3.2 |
0.881 |
8 |
5 |
0 |
0.028 |
19 |
|
D |
55 |
14 |
13884 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
14221 |
451.9 |
1.1 |
0.756 |
7 |
2 |
0 |
0.028 |
20 |
|
C |
54 |
15 |
13738 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
14425 |
429.2 |
2.0 |
0.823 |
9 |
1 |
0 |
0.028 |
Average: |
475.6 |
2.1 |
0.828 |
8 |
3 |
0 |
0.028 |
5 |
21 |
|
F |
28 |
10 |
14308 |
◊ |
G |
x-1,y,z |
1_455 |
32 |
11 |
13634 |
281.7 |
3.6 |
0.927 |
5 |
3 |
0 |
0.000 |
22 |
|
H |
32 |
11 |
13925 |
◊ |
E |
x-1,y,z |
1_455 |
25 |
8 |
14253 |
245.3 |
1.0 |
0.766 |
2 |
1 |
0 |
0.000 |
23 |
|
A |
27 |
10 |
14425 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
13884 |
241.6 |
2.5 |
0.874 |
3 |
1 |
0 |
0.000 |
24 |
|
C |
29 |
11 |
13738 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
8 |
14221 |
222.6 |
2.1 |
0.831 |
3 |
1 |
0 |
0.000 |
Average: |
247.8 |
2.3 |
0.850 |
3 |
2 |
0 |
0.000 |
6 |
25 |
|
C |
24 |
10 |
13738 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
11 |
13884 |
221.4 |
0.1 |
0.688 |
1 |
0 |
0 |
0.000 |
26 |
|
H |
20 |
8 |
13925 |
◊ |
G |
x-1,y,z |
1_455 |
21 |
8 |
13634 |
207.9 |
-0.3 |
0.657 |
2 |
0 |
0 |
0.000 |
Average: |
214.7 |
-0.1 |
0.672 |
2 |
0 |
0 |
0.000 |
7 |
27 |
|
E |
18 |
4 |
14253 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
21 |
4 |
14221 |
170.6 |
-0.7 |
0.517 |
1 |
1 |
0 |
0.000 |
28 |
|
F |
20 |
5 |
14308 |
◊ |
A |
x-1,y+1,z |
1_465 |
18 |
5 |
14425 |
141.2 |
-1.9 |
0.348 |
0 |
0 |
0 |
0.000 |
Average: |
155.9 |
-1.3 |
0.433 |
1 |
1 |
0 |
0.000 |
8 |
29 |
|
B |
15 |
5 |
14221 |
◊ |
H |
x,y,z-1 |
1_554 |
14 |
3 |
13925 |
151.0 |
-1.8 |
0.336 |
0 |
0 |
0 |
0.000 |
30 |
|
F |
15 |
5 |
14308 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
13884 |
149.0 |
-1.7 |
0.349 |
0 |
0 |
0 |
0.000 |
Average: |
150.0 |
-1.7 |
0.342 |
0 |
0 |
0 |
0.000 |
9 |
31 |
|
[PYR]H:402 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
17 |
9 |
13925 |
128.7 |
2.4 |
0.374 |
4 |
0 |
0 |
0.006 |
32 |
|
[PYR]E:402 |
6 |
1 |
215 |
f |
E |
x,y,z |
1_555 |
18 |
11 |
14253 |
110.4 |
2.4 |
0.383 |
6 |
0 |
0 |
0.006 |
Average: |
119.5 |
2.4 |
0.379 |
5 |
0 |
0 |
0.006 |
10 |
33 |
|
[PYR]D:402 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
13884 |
121.7 |
3.2 |
0.477 |
5 |
0 |
0 |
0.015 |
34 |
|
[PYR]B:402 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
14221 |
108.1 |
2.4 |
0.366 |
6 |
0 |
0 |
0.015 |
35 |
|
[PYR]A:402 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
14425 |
105.3 |
3.3 |
0.547 |
6 |
0 |
0 |
0.015 |
36 |
|
[PYR]F:402 |
6 |
1 |
215 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
14308 |
105.3 |
2.4 |
0.392 |
7 |
0 |
0 |
0.015 |
Average: |
110.1 |
2.9 |
0.446 |
6 |
0 |
0 |
0.015 |
11 |
37 |
|
[PYR]D:402 |
6 |
1 |
215 |
f |
[NAI]D:401 |
x,y,z |
1_555 |
9 |
1 |
866 |
63.2 |
0.9 |
0.724 |
0 |
0 |
0 |
0.000 |
12 |
38 |
|
C |
8 |
2 |
13738 |
◊ |
A |
x-1,y+1,z |
1_465 |
5 |
2 |
14425 |
58.2 |
0.3 |
0.720 |
1 |
2 |
0 |
0.000 |
39 |
|
E |
1 |
1 |
14253 |
◊ |
G |
x-1,y+1,z |
1_465 |
2 |
1 |
13634 |
8.8 |
0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
0.2 |
0.586 |
1 |
1 |
0 |
0.000 |
13 |
40 |
|
[PYR]F:402 |
6 |
1 |
215 |
f |
[NAI]F:401 |
x,y,z |
1_555 |
9 |
1 |
867 |
58.0 |
0.7 |
0.741 |
0 |
0 |
0 |
0.000 |
41 |
|
[PYR]A:402 |
6 |
1 |
215 |
f |
[NAI]A:401 |
x,y,z |
1_555 |
9 |
1 |
861 |
57.7 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
42 |
|
[PYR]B:402 |
6 |
1 |
216 |
f |
[NAI]B:401 |
x,y,z |
1_555 |
10 |
1 |
861 |
52.7 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
Average: |
56.1 |
0.6 |
0.743 |
0 |
0 |
0 |
0.000 |
14 |
43 |
|
[PYR]H:402 |
6 |
1 |
216 |
f |
[NAI]H:401 |
x,y,z |
1_555 |
10 |
1 |
870 |
56.8 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
15 |
44 |
|
[PYR]E:402 |
6 |
1 |
215 |
f |
[NAI]E:401 |
x,y,z |
1_555 |
9 |
1 |
860 |
55.9 |
0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
16 |
45 |
|
F |
9 |
4 |
14308 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13738 |
42.5 |
0.6 |
0.755 |
0 |
1 |
0 |
0.000 |
46 |
|
B |
2 |
1 |
14221 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
13634 |
34.4 |
0.9 |
0.888 |
1 |
2 |
0 |
0.000 |
Average: |
38.5 |
0.8 |
0.821 |
1 |
2 |
0 |
0.000 |
17 |
47 |
|
F |
3 |
1 |
14308 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
13884 |
28.3 |
0.9 |
0.728 |
0 |
0 |
0 |
0.000 |
48 |
|
H |
1 |
1 |
13925 |
◊ |
B |
x-1,y,z+1 |
1_456 |
2 |
1 |
14221 |
4.3 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
16.3 |
0.5 |
0.738 |
0 |
0 |
0 |
0.000 |
18 |
49 |
|
F |
1 |
1 |
14308 |
◊ |
D |
x-1,y+1,z |
1_465 |
4 |
1 |
13884 |
16.1 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
|