## |
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 |
|
[YNC]A:501 |
60 |
1 |
1165 |
f |
A |
x,y,z |
1_555 |
112 |
39 |
17926 |
804.0 |
-5.3 |
0.282 |
16 |
0 |
0 |
0.035 |
2 |
|
[YNC]C:501 |
60 |
1 |
1161 |
f |
C |
x,y,z |
1_555 |
108 |
39 |
17281 |
800.4 |
-5.1 |
0.260 |
15 |
0 |
0 |
0.035 |
3 |
|
[YNC]B:502 |
60 |
1 |
1160 |
f |
B |
x,y,z |
1_555 |
108 |
38 |
17975 |
799.9 |
-5.2 |
0.277 |
15 |
0 |
0 |
0.035 |
Average: |
801.4 |
-5.2 |
0.273 |
15 |
0 |
0 |
0.035 |
2 |
4 |
|
[646]B:501 |
32 |
1 |
675 |
f |
B |
x,y,z |
1_555 |
76 |
31 |
17975 |
489.5 |
-14.8 |
0.365 |
1 |
0 |
0 |
0.043 |
5 |
|
[646]A:503 |
32 |
1 |
673 |
f |
A |
x,y,z |
1_555 |
75 |
28 |
17926 |
485.3 |
-14.9 |
0.355 |
1 |
0 |
0 |
0.043 |
6 |
|
[646]C:502 |
32 |
1 |
667 |
f |
C |
x,y,z |
1_555 |
74 |
29 |
17281 |
482.9 |
-14.8 |
0.335 |
1 |
0 |
0 |
0.043 |
Average: |
485.9 |
-14.8 |
0.352 |
1 |
0 |
0 |
0.043 |
3 |
7 |
|
B |
53 |
15 |
17975 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
50 |
16 |
17926 |
483.5 |
-4.0 |
0.262 |
8 |
2 |
0 |
0.000 |
8 |
|
C |
50 |
16 |
17281 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
51 |
16 |
17975 |
473.4 |
-4.9 |
0.189 |
8 |
2 |
0 |
0.000 |
Average: |
478.4 |
-4.5 |
0.225 |
8 |
2 |
0 |
0.000 |
4 |
9 |
|
C |
53 |
14 |
17281 |
x |
C |
x-1,y,z |
1_455 |
53 |
19 |
17281 |
449.7 |
2.6 |
0.790 |
7 |
2 |
0 |
0.000 |
10 |
|
B |
56 |
21 |
17975 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
17975 |
448.1 |
3.8 |
0.856 |
8 |
2 |
0 |
0.000 |
11 |
|
A |
49 |
16 |
17926 |
x |
A |
x-1,y,z |
1_455 |
55 |
21 |
17926 |
426.0 |
2.4 |
0.791 |
8 |
3 |
0 |
0.000 |
Average: |
441.3 |
2.9 |
0.813 |
8 |
2 |
0 |
0.000 |
5 |
12 |
|
B |
54 |
21 |
17975 |
◊ |
A |
x,y,z |
1_555 |
59 |
22 |
17926 |
424.0 |
1.4 |
0.724 |
7 |
4 |
0 |
0.000 |
6 |
13 |
|
C |
44 |
19 |
17281 |
x |
C |
x-1/2,-y-3/2,-z |
4_435 |
37 |
11 |
17281 |
353.3 |
-1.5 |
0.355 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
42 |
15 |
17281 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
35 |
12 |
17926 |
318.4 |
2.5 |
0.785 |
7 |
7 |
0 |
0.000 |
8 |
15 |
|
B |
19 |
6 |
17975 |
◊ |
C |
-x-1/2,-y-1,z-1/2 |
2_444 |
24 |
5 |
17281 |
185.4 |
-2.9 |
0.190 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
B |
24 |
7 |
17975 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
20 |
10 |
17926 |
160.5 |
1.6 |
0.773 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
16 |
5 |
17281 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
17975 |
131.7 |
0.7 |
0.674 |
2 |
0 |
0 |
0.000 |
Average: |
146.1 |
1.1 |
0.724 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
17975 |
96.7 |
3.0 |
0.637 |
4 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]C:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
17281 |
95.7 |
3.0 |
0.624 |
4 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
17926 |
95.2 |
3.0 |
0.634 |
4 |
0 |
0 |
0.000 |
Average: |
95.4 |
3.0 |
0.629 |
4 |
0 |
0 |
0.000 |
12 |
21 |
|
B |
10 |
6 |
17975 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
7 |
2 |
17281 |
85.6 |
0.6 |
0.714 |
1 |
1 |
0 |
0.000 |
13 |
22 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17926 |
84.9 |
1.5 |
0.198 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[SO4]C:505 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
17281 |
67.3 |
-8.9 |
0.823 |
1 |
0 |
0 |
0.021 |
15 |
24 |
|
C |
7 |
4 |
17281 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17926 |
67.0 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[SO4]B:506 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
17975 |
59.8 |
-6.4 |
0.959 |
3 |
0 |
0 |
0.018 |
17 |
26 |
|
[SO4]B:506 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17926 |
57.9 |
-6.2 |
0.944 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17281 |
57.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17975 |
56.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17926 |
56.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
56.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
19 |
30 |
|
A |
8 |
5 |
17926 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
17926 |
56.7 |
0.6 |
0.661 |
1 |
1 |
0 |
0.000 |
20 |
31 |
|
[EDO]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
17975 |
55.6 |
1.2 |
0.601 |
1 |
0 |
0 |
0.000 |
21 |
32 |
|
[SO4]C:505 |
5 |
1 |
185 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
7 |
4 |
17281 |
53.6 |
-6.0 |
0.899 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
[646]A:503 |
4 |
1 |
673 |
f |
[YNC]A:501 |
x,y,z |
1_555 |
7 |
1 |
1165 |
51.8 |
-1.5 |
0.392 |
0 |
0 |
0 |
0.004 |
34 |
|
[646]C:502 |
4 |
1 |
667 |
f |
[YNC]C:501 |
x,y,z |
1_555 |
6 |
1 |
1161 |
51.6 |
-1.5 |
0.382 |
0 |
0 |
0 |
0.004 |
35 |
|
[646]B:501 |
4 |
1 |
675 |
f |
[YNC]B:502 |
x,y,z |
1_555 |
6 |
1 |
1160 |
50.8 |
-1.5 |
0.375 |
0 |
0 |
0 |
0.004 |
Average: |
51.4 |
-1.5 |
0.383 |
0 |
0 |
0 |
0.004 |
23 |
36 |
|
[EDO]C:504 |
4 |
1 |
185 |
f |
[646]C:502 |
x,y,z |
1_555 |
5 |
1 |
667 |
50.7 |
-0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
[646]A:503 |
x,y,z |
1_555 |
5 |
1 |
673 |
50.4 |
-0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
50.6 |
-0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
[646]B:501 |
x,y,z |
1_555 |
5 |
1 |
675 |
50.5 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
17926 |
41.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
5 |
2 |
17975 |
◊ |
[CL]B:503 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[CL]C:503 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
17281 |
41.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
A |
1 |
1 |
17926 |
◊ |
[YNC]A:501 |
x-1,y,z |
1_455 |
1 |
1 |
1165 |
4.7 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
17281 |
◊ |
[YNC]C:501 |
x-1,y,z |
1_455 |
1 |
1 |
1161 |
4.1 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
44 |
|
[YNC]B:502 |
1 |
1 |
1160 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17975 |
3.7 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
|