## |
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 |
|
A |
85 |
25 |
16579 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
85 |
25 |
16579 |
737.8 |
-9.0 |
0.157 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
66 |
22 |
16209 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
69 |
20 |
16579 |
655.3 |
-0.1 |
0.640 |
3 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
14 |
16209 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
31 |
12 |
16579 |
337.7 |
-1.3 |
0.498 |
0 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
35 |
12 |
16209 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
16579 |
335.5 |
-3.6 |
0.228 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
29 |
8 |
16579 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
33 |
12 |
16209 |
214.3 |
-1.9 |
0.413 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
25 |
8 |
16209 |
◊ |
B |
x,-y+1,-z+1/2 |
8_565 |
25 |
8 |
16209 |
196.2 |
0.7 |
0.731 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
15 |
6 |
16209 |
◊ |
B |
-x-1/2,y,-z |
7_455 |
15 |
6 |
16209 |
163.1 |
-3.1 |
0.123 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[FLC]A:4005 |
11 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
16579 |
149.8 |
-0.1 |
0.481 |
1 |
0 |
0 |
0.006 |
9 |
9 |
|
[FLC]B:4010 |
9 |
1 |
307 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
16579 |
127.0 |
-0.4 |
0.343 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[FLC]A:4004 |
11 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16579 |
118.8 |
1.1 |
0.569 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
B |
13 |
7 |
16209 |
◊ |
A |
x,-y+1,-z+1/2 |
8_565 |
13 |
8 |
16579 |
116.6 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[FLC]B:4010 |
12 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
16209 |
116.4 |
1.0 |
0.563 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:4011 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
16209 |
115.5 |
3.5 |
0.457 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:4007 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
16579 |
115.2 |
3.8 |
0.470 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
[BDP]B:4007 |
10 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
16209 |
113.9 |
1.2 |
0.392 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
A |
10 |
5 |
16579 |
◊ |
A |
-x-1,-y+1/2,z |
6_455 |
10 |
5 |
16579 |
112.5 |
1.3 |
0.820 |
0 |
2 |
0 |
0.000 |
17 |
17 |
|
[EDO]A:4008 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
16579 |
106.1 |
3.6 |
0.454 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[FLC]B:4009 |
10 |
1 |
309 |
◊ |
B |
x,-y+1,-z+1/2 |
8_565 |
17 |
7 |
16209 |
105.6 |
0.7 |
0.593 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:4013 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
16209 |
105.3 |
2.9 |
0.435 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
[XYS]B:4006 |
8 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16209 |
100.7 |
1.3 |
0.387 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[FLC]B:4009 |
11 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16209 |
100.3 |
0.7 |
0.559 |
3 |
0 |
0 |
0.027 |
22 |
22 |
|
[EDO]B:4012 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
16209 |
98.6 |
3.1 |
0.490 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[FLC]B:4009 |
12 |
1 |
309 |
◊ |
[FLC]B:4009 |
x,-y+1,-z+1/2 |
8_565 |
12 |
1 |
309 |
97.9 |
0.1 |
0.276 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[FLC]A:4005 |
10 |
1 |
310 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
12 |
5 |
16579 |
95.1 |
0.0 |
0.408 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]A:4009 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16579 |
93.0 |
2.3 |
0.248 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]B:4014 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
16209 |
92.3 |
3.2 |
0.464 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
B |
14 |
5 |
16209 |
◊ |
A |
x-1/2,y+1/2,z-1/2 |
5_454 |
6 |
3 |
16579 |
87.3 |
-0.6 |
0.467 |
1 |
0 |
0 |
0.000 |
28 |
28 |
|
[4MU]B:4004 |
12 |
1 |
330 |
◊ |
[4MU]B:4004 |
-x-3/2,y,-z |
7_355 |
12 |
1 |
330 |
81.7 |
4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
[NAG]A:4003 |
7 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
7 |
2 |
16579 |
80.0 |
2.4 |
0.480 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
[EDO]A:4010 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16579 |
76.8 |
2.7 |
0.328 |
1 |
0 |
0 |
0.000 |
31 |
31 |
|
[EDO]A:4006 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16579 |
74.4 |
1.6 |
0.773 |
2 |
0 |
0 |
0.000 |
32 |
32 |
|
[NAG]B:4003 |
8 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
16209 |
69.6 |
1.4 |
0.314 |
0 |
0 |
0 |
0.000 |
33 |
33 |
|
[EDO]A:4010 |
4 |
1 |
184 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
15 |
3 |
16579 |
66.0 |
1.9 |
0.274 |
1 |
0 |
0 |
0.000 |
34 |
34 |
|
[BDP]B:4005 |
5 |
1 |
297 |
◊ |
B |
-x-3/2,y,-z |
7_355 |
9 |
3 |
16209 |
63.9 |
0.0 |
0.352 |
0 |
0 |
0 |
0.000 |
35 |
35 |
|
[XYS]B:4008 |
5 |
1 |
259 |
cf |
[BDP]B:4007 |
x,y,z |
1_555 |
6 |
1 |
298 |
61.2 |
2.2 |
0.363 |
0 |
0 |
0 |
0.000 |
36 |
|
[XYS]B:4006 |
6 |
1 |
259 |
cf |
[BDP]B:4005 |
x,y,z |
1_555 |
6 |
1 |
297 |
55.4 |
1.9 |
0.338 |
0 |
0 |
0 |
0.000 |
Average: |
58.3 |
2.1 |
0.350 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[XYS]B:4006 |
5 |
1 |
259 |
cf |
[BDP]B:4007 |
x,y,z |
1_555 |
7 |
1 |
298 |
56.5 |
1.4 |
0.247 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[BDP]B:4005 |
7 |
1 |
297 |
cf |
[4MU]B:4004 |
x,y,z |
1_555 |
4 |
1 |
330 |
53.8 |
2.3 |
0.137 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[CA]A:4001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16579 |
43.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.261 |
40 |
|
[CA]B:4001 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16209 |
26.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.261 |
Average: |
34.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.261 |
39 |
41 |
|
[XYS]B:4008 |
6 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16209 |
39.2 |
1.3 |
0.409 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
B |
5 |
3 |
16209 |
◊ |
[FLC]A:4004 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
314 |
36.6 |
0.6 |
0.580 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[CA]A:4002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16579 |
33.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.315 |
44 |
|
[CA]B:4002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16209 |
32.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.315 |
Average: |
32.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.315 |
42 |
45 |
|
[FLC]A:4004 |
5 |
1 |
314 |
f |
[CA]A:4002 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.164 |
46 |
|
[FLC]B:4010 |
4 |
1 |
307 |
f |
[CA]B:4002 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
26.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.164 |
43 |
47 |
|
[BDP]B:4005 |
4 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16209 |
27.3 |
0.5 |
0.442 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[BDP]B:4007 |
3 |
1 |
298 |
f |
[CA]B:4001 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.130 |
45 |
49 |
|
[XYS]B:4006 |
3 |
1 |
259 |
f |
[CA]B:4001 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.143 |
46 |
50 |
|
[EDO]B:4013 |
4 |
1 |
182 |
f |
A |
-x,-y+1/2,z |
6_555 |
1 |
1 |
16579 |
18.6 |
0.7 |
0.969 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[XYS]B:4006 |
3 |
1 |
259 |
◊ |
B |
-x-3/2,y,-z |
7_355 |
3 |
1 |
16209 |
18.1 |
0.4 |
0.496 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
B |
3 |
2 |
16209 |
◊ |
B |
-x-3/2,y,-z |
7_355 |
3 |
2 |
16209 |
15.4 |
1.0 |
0.898 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[EDO]B:4011 |
1 |
1 |
183 |
◊ |
[FLC]A:4004 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
314 |
10.4 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[BDP]B:4007 |
1 |
1 |
298 |
f |
[BDP]B:4005 |
x,y,z |
1_555 |
1 |
1 |
297 |
10.0 |
0.4 |
0.323 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[CA]B:4002 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16579 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[EDO]A:4010 |
1 |
1 |
184 |
f |
[FLC]A:4005 |
x,y,z |
1_555 |
2 |
1 |
310 |
4.1 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[EDO]B:4011 |
1 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16579 |
3.9 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
[EDO]A:4006 |
1 |
1 |
183 |
f |
A |
x,-y,-z+1/2 |
8_555 |
1 |
1 |
16579 |
1.2 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[4MU]B:4004 |
1 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16209 |
0.7 |
0.0 |
0.811 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
[XYS]B:4006 |
1 |
1 |
259 |
f |
[4MU]B:4004 |
x,y,z |
1_555 |
1 |
1 |
330 |
0.3 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
|