## |
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 |
256 |
60 |
14334 |
◊ |
F |
x,y,z |
1_555 |
249 |
60 |
14326 |
2318.8 |
-34.9 |
0.049 |
26 |
19 |
0 |
0.186 |
2 |
|
D |
255 |
60 |
14219 |
◊ |
B |
x,y,z |
1_555 |
248 |
58 |
14250 |
2308.1 |
-35.4 |
0.045 |
25 |
20 |
0 |
0.186 |
Average: |
2313.4 |
-35.2 |
0.047 |
26 |
20 |
0 |
0.186 |
2 |
3 |
|
B |
180 |
51 |
14250 |
◊ |
C |
x,y,z |
1_555 |
187 |
53 |
16894 |
1738.6 |
-19.1 |
0.167 |
24 |
4 |
0 |
0.191 |
4 |
|
D |
186 |
51 |
14219 |
◊ |
A |
x,y,z |
1_555 |
188 |
52 |
16815 |
1738.3 |
-16.9 |
0.237 |
25 |
5 |
0 |
0.191 |
5 |
|
H |
186 |
52 |
14334 |
◊ |
E |
x,y,z |
1_555 |
191 |
53 |
17062 |
1736.5 |
-17.9 |
0.202 |
26 |
5 |
0 |
0.191 |
6 |
|
F |
184 |
52 |
14326 |
◊ |
G |
x,y,z |
1_555 |
182 |
55 |
16741 |
1722.0 |
-17.8 |
0.191 |
26 |
3 |
0 |
0.191 |
Average: |
1733.9 |
-17.9 |
0.199 |
25 |
4 |
0 |
0.191 |
3 |
7 |
|
D |
167 |
52 |
14219 |
◊ |
C |
x,y,z |
1_555 |
174 |
46 |
16894 |
1644.2 |
-23.5 |
0.046 |
14 |
6 |
0 |
0.200 |
8 |
|
H |
169 |
50 |
14334 |
◊ |
G |
x,y,z |
1_555 |
173 |
45 |
16741 |
1641.0 |
-23.5 |
0.044 |
17 |
6 |
0 |
0.200 |
9 |
|
F |
179 |
52 |
14326 |
◊ |
E |
x,y,z |
1_555 |
171 |
46 |
17062 |
1636.0 |
-21.9 |
0.084 |
20 |
6 |
0 |
0.200 |
10 |
|
B |
175 |
53 |
14250 |
◊ |
A |
x,y,z |
1_555 |
173 |
45 |
16815 |
1624.1 |
-23.6 |
0.054 |
16 |
5 |
0 |
0.200 |
Average: |
1636.3 |
-23.1 |
0.057 |
17 |
6 |
0 |
0.200 |
4 |
11 |
|
G |
83 |
19 |
16741 |
◊ |
E |
x,y,z |
1_555 |
84 |
19 |
17062 |
662.5 |
-6.3 |
0.364 |
6 |
0 |
0 |
0.024 |
12 |
|
C |
81 |
20 |
16894 |
◊ |
A |
x,y,z |
1_555 |
80 |
19 |
16815 |
650.1 |
-6.9 |
0.327 |
8 |
0 |
0 |
0.024 |
Average: |
656.3 |
-6.6 |
0.346 |
7 |
0 |
0 |
0.024 |
5 |
13 |
|
G |
52 |
18 |
16741 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
53 |
20 |
17062 |
493.0 |
-2.4 |
0.371 |
1 |
3 |
0 |
0.000 |
14 |
|
C |
51 |
16 |
16894 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
52 |
20 |
16815 |
459.4 |
-3.2 |
0.432 |
1 |
4 |
0 |
0.000 |
Average: |
476.2 |
-2.8 |
0.401 |
1 |
4 |
0 |
0.000 |
6 |
15 |
|
C |
40 |
13 |
16894 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
41 |
12 |
14250 |
415.4 |
1.4 |
0.789 |
7 |
2 |
0 |
0.000 |
16 |
|
H |
37 |
12 |
14334 |
◊ |
E |
-x-2,y-1/2,-z-1 |
2_344 |
40 |
12 |
17062 |
394.9 |
-0.4 |
0.634 |
8 |
2 |
0 |
0.000 |
Average: |
405.2 |
0.5 |
0.711 |
8 |
2 |
0 |
0.000 |
7 |
17 |
|
[TPP]C:1006 |
25 |
1 |
605 |
f |
C |
x,y,z |
1_555 |
48 |
19 |
16894 |
304.1 |
-5.4 |
0.565 |
12 |
0 |
0 |
0.067 |
18 |
|
[TPP]G:1012 |
26 |
1 |
604 |
f |
G |
x,y,z |
1_555 |
51 |
21 |
16741 |
304.0 |
-3.1 |
0.584 |
12 |
0 |
0 |
0.067 |
19 |
|
[TPP]A:1003 |
25 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
16815 |
302.3 |
-2.9 |
0.570 |
12 |
0 |
0 |
0.067 |
20 |
|
[TPP]E:1009 |
25 |
1 |
595 |
f |
E |
x,y,z |
1_555 |
47 |
20 |
17062 |
300.6 |
-3.6 |
0.562 |
12 |
0 |
0 |
0.067 |
Average: |
302.7 |
-3.8 |
0.570 |
12 |
0 |
0 |
0.067 |
8 |
21 |
|
B |
31 |
7 |
14250 |
◊ |
G |
x,y,z |
1_555 |
33 |
12 |
16741 |
284.6 |
0.6 |
0.763 |
2 |
1 |
0 |
0.000 |
9 |
22 |
|
[TPP]C:1006 |
19 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
14250 |
182.7 |
0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
23 |
|
[TPP]E:1009 |
18 |
1 |
595 |
◊ |
H |
x,y,z |
1_555 |
29 |
8 |
14334 |
180.1 |
0.8 |
0.598 |
0 |
0 |
0 |
0.000 |
24 |
|
[TPP]G:1012 |
18 |
1 |
604 |
◊ |
F |
x,y,z |
1_555 |
26 |
8 |
14326 |
177.0 |
0.2 |
0.431 |
0 |
0 |
0 |
0.000 |
25 |
|
[TPP]A:1003 |
17 |
1 |
590 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
14219 |
171.4 |
0.4 |
0.491 |
0 |
0 |
0 |
0.000 |
Average: |
177.8 |
0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
10 |
26 |
|
F |
19 |
7 |
14326 |
◊ |
E |
-x-2,y-1/2,-z-1 |
2_344 |
19 |
5 |
17062 |
167.7 |
-0.5 |
0.585 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
20 |
5 |
16894 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
19 |
8 |
14219 |
150.9 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.000 |
Average: |
159.3 |
-0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
[K]D:1002 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
14219 |
120.2 |
-108.3 |
0.000 |
0 |
0 |
0 |
0.814 |
29 |
|
[K]H:1008 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
14334 |
117.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.814 |
30 |
|
[K]F:1011 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
14326 |
116.5 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.814 |
31 |
|
[K]B:1005 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14250 |
115.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.814 |
Average: |
117.4 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.814 |
12 |
32 |
|
[MG]G:1010 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
16741 |
37.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.038 |
33 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
16815 |
37.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.038 |
34 |
|
[MG]E:1007 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
17062 |
36.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
|
[MG]C:1004 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
9 |
16894 |
36.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
37.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.038 |
13 |
36 |
|
[TPP]C:1006 |
4 |
1 |
605 |
f |
[MG]C:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.033 |
37 |
|
[TPP]E:1009 |
5 |
1 |
595 |
f |
[MG]E:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
|
[TPP]A:1003 |
4 |
1 |
590 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
|
[TPP]G:1012 |
6 |
1 |
604 |
f |
[MG]G:1010 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
31.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.033 |
14 |
40 |
|
G |
1 |
1 |
16741 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
16815 |
5.6 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
15 |
41 |
|
E |
1 |
1 |
17062 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
16815 |
3.7 |
0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
16 |
42 |
|
[TPP]G:1012 |
1 |
1 |
604 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14334 |
3.0 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
17 |
43 |
|
F |
1 |
1 |
14326 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
16815 |
1.1 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
|