| ## |
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 |
|
Q |
363 |
95 |
19742 |
◊ |
A |
x,y,z |
1_555 |
355 |
90 |
12736 |
3445.5 |
-40.3 |
0.052 |
50 |
7 |
0 |
0.438 |
2 |
|
S |
366 |
97 |
19757 |
◊ |
C |
x,y,z |
1_555 |
353 |
90 |
12500 |
3440.0 |
-41.7 |
0.036 |
51 |
8 |
0 |
0.438 |
3 |
|
R |
371 |
96 |
19678 |
◊ |
B |
x,y,z |
1_555 |
358 |
91 |
12952 |
3439.2 |
-39.9 |
0.051 |
50 |
8 |
0 |
0.438 |
| Average: |
3441.6 |
-40.6 |
0.046 |
50 |
8 |
0 |
0.438 |
| 2 |
4 |
|
Q |
65 |
20 |
19742 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
51 |
17 |
12736 |
515.0 |
-0.6 |
0.741 |
6 |
2 |
0 |
0.000 |
5 |
|
C |
52 |
16 |
12500 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
65 |
23 |
19678 |
488.8 |
-0.1 |
0.764 |
5 |
1 |
0 |
0.000 |
| Average: |
501.9 |
-0.4 |
0.753 |
6 |
2 |
0 |
0.000 |
| 3 |
6 |
|
Q |
43 |
11 |
19742 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
47 |
15 |
12500 |
411.2 |
-0.3 |
0.710 |
6 |
1 |
0 |
0.000 |
7 |
|
A |
43 |
13 |
12736 |
◊ |
R |
-x+1,y-1/2,-z |
2_645 |
42 |
11 |
19678 |
400.5 |
0.2 |
0.735 |
6 |
1 |
0 |
0.000 |
| Average: |
405.9 |
-0.0 |
0.723 |
6 |
1 |
0 |
0.000 |
| 4 |
8 |
|
Q |
27 |
9 |
19742 |
◊ |
R |
x,y-1,z |
1_545 |
30 |
10 |
19678 |
270.5 |
-0.7 |
0.538 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[SF4]B:1265 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
12952 |
184.2 |
-20.0 |
0.461 |
0 |
0 |
0 |
0.135 |
10 |
|
[SF4]A:1265 |
8 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
12736 |
183.6 |
-20.2 |
0.616 |
0 |
0 |
0 |
0.135 |
11 |
|
[SF4]C:1265 |
8 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
24 |
14 |
12500 |
183.5 |
-20.1 |
0.465 |
0 |
0 |
0 |
0.135 |
| Average: |
183.8 |
-20.1 |
0.514 |
0 |
0 |
0 |
0.135 |
| 6 |
12 |
|
S |
21 |
7 |
19757 |
x |
S |
-x,y-1/2,-z+1 |
2_546 |
28 |
9 |
19757 |
183.6 |
0.3 |
0.678 |
1 |
2 |
0 |
0.000 |
| 7 |
13 |
|
Q |
24 |
7 |
19742 |
◊ |
S |
-x,y-1/2,-z+1 |
2_546 |
17 |
6 |
19757 |
181.3 |
3.1 |
0.916 |
3 |
3 |
0 |
0.000 |
14 |
|
Q |
16 |
6 |
19742 |
◊ |
R |
-x+1,y-1/2,-z |
2_645 |
24 |
7 |
19678 |
170.7 |
2.7 |
0.895 |
3 |
2 |
0 |
0.000 |
| Average: |
176.0 |
2.9 |
0.906 |
3 |
3 |
0 |
0.000 |
| 8 |
15 |
|
[SF4]A:1267 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
12736 |
172.9 |
-18.8 |
0.190 |
1 |
0 |
0 |
0.127 |
16 |
|
[SF4]B:1267 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
30 |
16 |
12952 |
171.7 |
-18.6 |
0.217 |
1 |
0 |
0 |
0.127 |
| Average: |
172.3 |
-18.7 |
0.204 |
1 |
0 |
0 |
0.127 |
| 9 |
17 |
|
[F3S]C:1266 |
7 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
31 |
16 |
12500 |
172.4 |
-16.7 |
0.354 |
0 |
0 |
0 |
0.112 |
18 |
|
[F3S]B:1266 |
7 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
30 |
15 |
12952 |
172.1 |
-16.7 |
0.295 |
0 |
0 |
0 |
0.112 |
19 |
|
[F3S]A:1266 |
7 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
12736 |
171.8 |
-16.6 |
0.354 |
1 |
0 |
0 |
0.112 |
| Average: |
172.1 |
-16.7 |
0.334 |
0 |
0 |
0 |
0.112 |
| 10 |
20 |
|
[SF4]C:1267 |
8 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
31 |
15 |
12500 |
170.6 |
-18.6 |
0.224 |
1 |
0 |
0 |
0.128 |
| 11 |
21 |
|
[GOL]Q:1561 |
6 |
1 |
219 |
f |
Q |
x,y,z |
1_555 |
30 |
9 |
19742 |
147.9 |
-0.4 |
0.588 |
5 |
0 |
0 |
0.018 |
22 |
|
[GOL]S:1561 |
6 |
1 |
218 |
f |
S |
x,y,z |
1_555 |
28 |
9 |
19757 |
147.5 |
-0.5 |
0.604 |
5 |
0 |
0 |
0.018 |
23 |
|
[GOL]R:1561 |
6 |
1 |
219 |
f |
R |
x,y,z |
1_555 |
26 |
9 |
19678 |
146.8 |
-0.4 |
0.598 |
5 |
0 |
0 |
0.018 |
| Average: |
147.4 |
-0.4 |
0.597 |
5 |
0 |
0 |
0.018 |
| 12 |
24 |
|
R |
23 |
11 |
19678 |
◊ |
S |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
8 |
19757 |
143.8 |
0.5 |
0.620 |
1 |
1 |
0 |
0.000 |
| 13 |
25 |
|
Q |
21 |
10 |
19742 |
◊ |
R |
x-1,y-1,z |
1_445 |
18 |
10 |
19678 |
130.6 |
-1.3 |
0.472 |
0 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[FCO]R:1550 |
7 |
1 |
263 |
f |
R |
x,y,z |
1_555 |
16 |
10 |
19678 |
123.9 |
-1.6 |
0.326 |
0 |
0 |
0 |
0.012 |
27 |
|
[FCO]S:1550 |
7 |
1 |
262 |
f |
S |
x,y,z |
1_555 |
14 |
10 |
19757 |
123.5 |
-1.6 |
0.318 |
0 |
0 |
0 |
0.012 |
28 |
|
[FCO]Q:1550 |
7 |
1 |
263 |
f |
Q |
x,y,z |
1_555 |
13 |
8 |
19742 |
123.4 |
-1.8 |
0.290 |
0 |
0 |
0 |
0.012 |
| Average: |
123.6 |
-1.6 |
0.311 |
0 |
0 |
0 |
0.012 |
| 15 |
29 |
|
[GOL]Q:1562 |
6 |
1 |
217 |
f |
Q |
x,y,z |
1_555 |
19 |
6 |
19742 |
100.1 |
-0.3 |
0.597 |
7 |
0 |
0 |
0.022 |
| 16 |
30 |
|
[GOL]R:1562 |
6 |
1 |
220 |
f |
R |
x,y,z |
1_555 |
18 |
6 |
19678 |
97.2 |
-0.2 |
0.567 |
7 |
0 |
0 |
0.021 |
| 17 |
31 |
|
S |
9 |
5 |
19757 |
◊ |
R |
x-1,y,z |
1_455 |
7 |
3 |
19678 |
97.1 |
1.3 |
0.844 |
1 |
2 |
0 |
0.000 |
| 18 |
32 |
|
A |
10 |
5 |
12736 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
6 |
12952 |
80.6 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
12 |
4 |
12736 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
12500 |
73.2 |
-0.4 |
0.607 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
-0.3 |
0.639 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
S |
9 |
4 |
19757 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
12952 |
68.5 |
1.3 |
0.849 |
2 |
0 |
0 |
0.000 |
| 20 |
35 |
|
A |
13 |
4 |
12736 |
◊ |
[GOL]R:1562 |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
220 |
64.1 |
-1.5 |
0.327 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[GOL]Q:1562 |
6 |
1 |
217 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
12500 |
63.5 |
-1.5 |
0.395 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[SF4]A:1267 |
4 |
1 |
307 |
◊ |
Q |
x,y,z |
1_555 |
12 |
5 |
19742 |
61.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
38 |
|
[SF4]B:1267 |
4 |
1 |
308 |
◊ |
R |
x,y,z |
1_555 |
12 |
5 |
19678 |
60.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
60.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
39 |
|
[SF4]C:1267 |
4 |
1 |
308 |
◊ |
S |
x,y,z |
1_555 |
12 |
5 |
19757 |
59.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 24 |
40 |
|
[F3S]A:1266 |
5 |
1 |
301 |
◊ |
Q |
x,y,z |
1_555 |
7 |
3 |
19742 |
56.3 |
-2.5 |
0.000 |
1 |
0 |
0 |
0.019 |
41 |
|
[F3S]B:1266 |
5 |
1 |
299 |
◊ |
R |
x,y,z |
1_555 |
7 |
3 |
19678 |
55.4 |
-2.4 |
0.000 |
1 |
0 |
0 |
0.019 |
42 |
|
[F3S]C:1266 |
5 |
1 |
301 |
◊ |
S |
x,y,z |
1_555 |
6 |
3 |
19757 |
55.4 |
-2.5 |
0.000 |
1 |
0 |
0 |
0.019 |
| Average: |
55.7 |
-2.5 |
0.000 |
1 |
0 |
0 |
0.019 |
| 25 |
43 |
|
[MG]Q:1553 |
1 |
1 |
98 |
f |
Q |
x,y,z |
1_555 |
8 |
5 |
19742 |
52.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.064 |
44 |
|
[MG]R:1553 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
8 |
5 |
19678 |
51.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.064 |
45 |
|
[MG]S:1553 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
9 |
6 |
19757 |
51.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
51.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| 26 |
46 |
|
Q |
7 |
5 |
19742 |
x |
Q |
x-1,y,z |
1_455 |
6 |
3 |
19742 |
43.4 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
| 27 |
47 |
|
[NI]S:1551 |
1 |
1 |
115 |
f |
[FCO]S:1550 |
x,y,z |
1_555 |
3 |
1 |
262 |
36.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.044 |
48 |
|
[NI]Q:1551 |
1 |
1 |
115 |
f |
[FCO]Q:1550 |
x,y,z |
1_555 |
3 |
1 |
263 |
36.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
|
[NI]R:1551 |
1 |
1 |
115 |
f |
[FCO]R:1550 |
x,y,z |
1_555 |
3 |
1 |
263 |
35.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
36.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| 28 |
50 |
|
[MG]R:1560 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
6 |
4 |
19678 |
36.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
| 29 |
51 |
|
A |
6 |
3 |
12736 |
◊ |
[MG]R:1560 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
29.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
S |
4 |
1 |
19757 |
◊ |
R |
x,y,z |
1_555 |
3 |
1 |
19678 |
26.7 |
0.3 |
0.768 |
0 |
1 |
0 |
0.000 |
| 31 |
53 |
|
[GOL]Q:1562 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12736 |
20.5 |
-0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
54 |
|
[GOL]R:1562 |
1 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12952 |
19.8 |
-0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| Average: |
20.2 |
-0.1 |
0.340 |
0 |
0 |
0 |
0.001 |
| 32 |
55 |
|
S |
3 |
1 |
19757 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
12500 |
17.5 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
B |
2 |
1 |
12952 |
◊ |
R |
x-1,y,z |
1_455 |
1 |
1 |
19678 |
17.5 |
0.5 |
0.588 |
0 |
0 |
0 |
0.000 |
| 34 |
57 |
|
Q |
4 |
2 |
19742 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
12952 |
15.2 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[MG]R:1560 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12952 |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 36 |
59 |
|
S |
4 |
1 |
19757 |
x |
S |
x-1,y,z |
1_455 |
1 |
1 |
19757 |
10.7 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
| 37 |
60 |
|
[GOL]R:1562 |
2 |
1 |
220 |
f |
[MG]R:1560 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 38 |
61 |
|
A |
1 |
1 |
12736 |
◊ |
R |
x-1,y,z |
1_455 |
1 |
1 |
19678 |
3.0 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
Q |
1 |
1 |
19742 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12736 |
1.4 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
|