## |
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 |
492 |
120 |
19932 |
◊ |
C |
x,y,z |
1_555 |
487 |
120 |
20116 |
4822.3 |
-74.6 |
0.000 |
51 |
14 |
0 |
0.704 |
2 |
|
B |
496 |
120 |
19637 |
◊ |
A |
x,y,z |
1_555 |
496 |
122 |
19959 |
4820.1 |
-73.7 |
0.000 |
49 |
14 |
0 |
0.704 |
Average: |
4821.2 |
-74.2 |
0.000 |
50 |
14 |
0 |
0.704 |
2 |
3 |
|
D |
47 |
16 |
19932 |
◊ |
A |
x,y,z |
1_555 |
55 |
20 |
19959 |
385.1 |
0.2 |
0.766 |
4 |
7 |
0 |
0.000 |
4 |
|
C |
45 |
15 |
20116 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
19637 |
351.2 |
0.0 |
0.747 |
2 |
6 |
0 |
0.000 |
Average: |
368.2 |
0.1 |
0.757 |
3 |
7 |
0 |
0.000 |
3 |
5 |
|
D |
40 |
13 |
19932 |
◊ |
C |
x-1,y,z |
1_455 |
42 |
12 |
20116 |
368.4 |
2.8 |
0.903 |
2 |
1 |
0 |
0.001 |
6 |
|
B |
28 |
9 |
19637 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
6 |
19959 |
210.8 |
-0.1 |
0.689 |
1 |
0 |
0 |
0.001 |
Average: |
289.6 |
1.4 |
0.796 |
2 |
1 |
0 |
0.001 |
4 |
7 |
|
A |
34 |
14 |
19959 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
38 |
15 |
19932 |
295.0 |
1.0 |
0.805 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
35 |
14 |
19932 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
14 |
19637 |
282.7 |
-1.4 |
0.576 |
1 |
1 |
0 |
0.000 |
6 |
9 |
|
C |
29 |
8 |
20116 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
10 |
20116 |
279.0 |
3.6 |
0.881 |
3 |
2 |
0 |
0.000 |
7 |
10 |
|
[PMP]A:505 |
16 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
19959 |
248.8 |
0.2 |
0.568 |
3 |
0 |
0 |
0.018 |
11 |
|
[PMP]C:503 |
16 |
1 |
396 |
◊ |
C |
x,y,z |
1_555 |
45 |
17 |
20116 |
248.4 |
0.2 |
0.571 |
3 |
0 |
0 |
0.018 |
12 |
|
[PMP]D:502 |
16 |
1 |
396 |
◊ |
D |
x,y,z |
1_555 |
43 |
17 |
19932 |
247.6 |
0.0 |
0.558 |
3 |
0 |
0 |
0.018 |
13 |
|
[PMP]B:503 |
16 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
44 |
17 |
19637 |
246.5 |
0.3 |
0.587 |
3 |
0 |
0 |
0.018 |
Average: |
247.8 |
0.2 |
0.571 |
3 |
0 |
0 |
0.018 |
8 |
14 |
|
A |
29 |
8 |
19959 |
x |
D |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
9 |
19932 |
232.8 |
0.3 |
0.740 |
2 |
0 |
0 |
0.000 |
15 |
|
B |
32 |
10 |
19637 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
29 |
12 |
19637 |
191.0 |
-0.6 |
0.657 |
2 |
0 |
0 |
0.000 |
Average: |
211.9 |
-0.1 |
0.699 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
21 |
8 |
19959 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
8 |
20116 |
163.9 |
-1.4 |
0.476 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[BEN]A:503 |
9 |
1 |
283 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
19959 |
132.4 |
4.3 |
0.368 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
21 |
8 |
19637 |
◊ |
[BEN]B:502 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
281 |
127.0 |
4.4 |
0.308 |
0 |
0 |
0 |
0.000 |
19 |
|
[BEN]A:504 |
9 |
1 |
285 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
8 |
19932 |
126.6 |
4.3 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
126.8 |
4.3 |
0.304 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[BEN]A:504 |
9 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
19959 |
108.8 |
2.2 |
0.054 |
3 |
0 |
0 |
0.000 |
21 |
|
[BEN]B:502 |
9 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
19637 |
105.3 |
2.1 |
0.054 |
3 |
0 |
0 |
0.000 |
Average: |
107.0 |
2.1 |
0.054 |
3 |
0 |
0 |
0.000 |
13 |
22 |
|
[BEN]A:503 |
9 |
1 |
283 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
4 |
19932 |
106.4 |
1.9 |
0.066 |
3 |
0 |
0 |
0.000 |
14 |
23 |
|
D |
14 |
3 |
19932 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
19637 |
102.4 |
-2.2 |
0.255 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
13 |
3 |
20116 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
19959 |
99.1 |
-2.1 |
0.229 |
0 |
0 |
0 |
0.000 |
Average: |
100.7 |
-2.2 |
0.242 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
B |
9 |
4 |
19637 |
f |
[SO4]A:502 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
74.1 |
-10.9 |
0.607 |
4 |
0 |
0 |
0.091 |
16 |
26 |
|
D |
11 |
5 |
19932 |
◊ |
[SO4]C:502 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
73.4 |
-10.8 |
0.666 |
1 |
0 |
0 |
0.000 |
17 |
27 |
|
[SO4]C:502 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20116 |
72.5 |
-10.7 |
0.622 |
2 |
0 |
0 |
0.082 |
18 |
28 |
|
[SO4]A:502 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
19959 |
72.1 |
-10.6 |
0.647 |
3 |
0 |
0 |
0.023 |
19 |
29 |
|
[PMP]B:503 |
7 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19959 |
71.6 |
-2.9 |
0.342 |
2 |
0 |
0 |
0.055 |
30 |
|
[PMP]C:503 |
7 |
1 |
396 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
19932 |
71.5 |
-2.9 |
0.347 |
2 |
0 |
0 |
0.055 |
31 |
|
[PMP]D:502 |
7 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
20116 |
71.3 |
-3.0 |
0.332 |
2 |
0 |
0 |
0.055 |
32 |
|
[PMP]A:505 |
7 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19637 |
70.7 |
-2.9 |
0.330 |
2 |
0 |
0 |
0.055 |
Average: |
71.3 |
-2.9 |
0.338 |
2 |
0 |
0 |
0.055 |
20 |
33 |
|
[NA]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
19932 |
64.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.150 |
34 |
|
[NA]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19637 |
64.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.150 |
35 |
|
[NA]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
20116 |
63.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.150 |
36 |
|
[NA]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19959 |
63.7 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
64.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.150 |
21 |
37 |
|
A |
5 |
3 |
19959 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
20116 |
32.2 |
0.8 |
0.825 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
B |
1 |
1 |
19637 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
19959 |
10.8 |
0.5 |
0.846 |
0 |
0 |
0 |
0.000 |
|