| ## |
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 |
|
[NHW]B:1411 |
62 |
1 |
1181 |
f |
B |
x,y,z |
1_555 |
110 |
38 |
18156 |
835.7 |
-17.4 |
0.312 |
15 |
0 |
0 |
0.067 |
2 |
|
[NHW]C:1411 |
63 |
1 |
1184 |
f |
C |
x,y,z |
1_555 |
109 |
37 |
17257 |
821.3 |
-16.8 |
0.319 |
16 |
0 |
0 |
0.067 |
3 |
|
[NHW]A:1411 |
62 |
1 |
1179 |
f |
A |
x,y,z |
1_555 |
105 |
37 |
18332 |
814.2 |
-16.3 |
0.304 |
17 |
0 |
0 |
0.067 |
| Average: |
823.7 |
-16.8 |
0.312 |
16 |
0 |
0 |
0.067 |
| 2 |
4 |
|
B |
53 |
16 |
18156 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
16 |
18332 |
487.6 |
-5.0 |
0.182 |
6 |
1 |
0 |
0.000 |
5 |
|
C |
48 |
15 |
17257 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
52 |
15 |
18156 |
477.5 |
-4.7 |
0.197 |
6 |
1 |
0 |
0.000 |
| Average: |
482.5 |
-4.9 |
0.190 |
6 |
1 |
0 |
0.000 |
| 3 |
6 |
|
C |
61 |
15 |
17257 |
x |
C |
x-1,y,z |
1_455 |
61 |
21 |
17257 |
479.4 |
3.2 |
0.807 |
9 |
3 |
0 |
0.000 |
7 |
|
B |
59 |
20 |
18156 |
x |
B |
x-1,y,z |
1_455 |
56 |
15 |
18156 |
478.0 |
3.8 |
0.860 |
7 |
2 |
0 |
0.000 |
8 |
|
A |
56 |
16 |
18332 |
x |
A |
x-1,y,z |
1_455 |
53 |
21 |
18332 |
463.6 |
3.5 |
0.819 |
7 |
3 |
0 |
0.000 |
| Average: |
473.7 |
3.5 |
0.828 |
8 |
3 |
0 |
0.000 |
| 4 |
9 |
|
[4XB]B:1001 |
29 |
1 |
620 |
f |
B |
x,y,z |
1_555 |
70 |
28 |
18156 |
462.3 |
3.6 |
0.226 |
3 |
0 |
0 |
0.000 |
10 |
|
[4XB]A:1001 |
29 |
1 |
618 |
f |
A |
x,y,z |
1_555 |
66 |
26 |
18332 |
455.6 |
3.7 |
0.211 |
2 |
0 |
0 |
0.000 |
11 |
|
[4XB]C:1001 |
29 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
66 |
27 |
17257 |
453.3 |
3.5 |
0.208 |
1 |
0 |
0 |
0.000 |
| Average: |
457.0 |
3.6 |
0.215 |
2 |
0 |
0 |
0.000 |
| 5 |
12 |
|
B |
57 |
22 |
18156 |
◊ |
A |
x,y,z |
1_555 |
53 |
19 |
18332 |
431.9 |
1.0 |
0.682 |
6 |
3 |
0 |
0.000 |
| 6 |
13 |
|
C |
42 |
18 |
17257 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
39 |
10 |
17257 |
381.5 |
-0.6 |
0.490 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
C |
39 |
15 |
17257 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
28 |
10 |
18332 |
294.6 |
1.6 |
0.734 |
6 |
7 |
0 |
0.000 |
| 8 |
15 |
|
C |
19 |
6 |
17257 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
18332 |
199.6 |
0.9 |
0.689 |
4 |
0 |
0 |
0.000 |
| 9 |
16 |
|
A |
20 |
6 |
18332 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
24 |
10 |
18332 |
173.9 |
1.0 |
0.695 |
2 |
2 |
0 |
0.000 |
| 10 |
17 |
|
C |
22 |
6 |
17257 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
18156 |
161.0 |
1.4 |
0.751 |
2 |
0 |
0 |
0.000 |
18 |
|
B |
19 |
6 |
18156 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
8 |
18332 |
152.5 |
-1.0 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
156.7 |
0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[DMS]B:999 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
18156 |
142.1 |
3.5 |
0.587 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[DMS]A:999 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
18332 |
140.7 |
3.5 |
0.557 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[DMS]C:999 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
17257 |
136.4 |
3.5 |
0.569 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
B |
10 |
4 |
18156 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
2 |
17257 |
101.6 |
-1.3 |
0.270 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
B |
15 |
8 |
18156 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
17257 |
98.5 |
1.3 |
0.761 |
1 |
2 |
0 |
0.000 |
| 16 |
24 |
|
[SO4]B:1412 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
18332 |
64.3 |
-6.9 |
0.966 |
3 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[SO4]B:1412 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
18156 |
60.6 |
-7.1 |
0.915 |
3 |
0 |
0 |
0.019 |
| 18 |
26 |
|
A |
14 |
5 |
18332 |
f |
[CL]A:1412 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
57.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
27 |
|
[CL]C:1412 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17257 |
56.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
|
[CL]B:1413 |
1 |
1 |
125 |
f |
B |
x-1,y,z |
1_455 |
13 |
5 |
18156 |
56.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
57.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
29 |
|
[CL]C:1412 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
17257 |
42.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]B:1413 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
18156 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[CL]A:1412 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
18332 |
40.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
41.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[MG]C:1413 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
17257 |
41.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.019 |
33 |
|
[MG]A:1413 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18332 |
40.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.019 |
34 |
|
[MG]B:1414 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
18156 |
40.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
40.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.019 |
| 21 |
35 |
|
[MG]A:1413 |
1 |
1 |
98 |
f |
[NHW]A:1411 |
x,y,z |
1_555 |
5 |
1 |
1179 |
29.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.012 |
36 |
|
[MG]C:1413 |
1 |
1 |
98 |
f |
[NHW]C:1411 |
x,y,z |
1_555 |
4 |
1 |
1184 |
28.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
|
[MG]B:1414 |
1 |
1 |
98 |
f |
[NHW]B:1411 |
x,y,z |
1_555 |
4 |
1 |
1181 |
28.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
29.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 22 |
38 |
|
[NHW]C:1411 |
2 |
1 |
1184 |
f |
[4XB]C:1001 |
x,y,z |
1_555 |
1 |
1 |
615 |
10.0 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
39 |
|
[NHW]B:1411 |
2 |
1 |
1181 |
f |
[4XB]B:1001 |
x,y,z |
1_555 |
1 |
1 |
620 |
9.7 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
40 |
|
[NHW]A:1411 |
2 |
1 |
1179 |
f |
[4XB]A:1001 |
x,y,z |
1_555 |
1 |
1 |
618 |
9.0 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[NHW]B:1411 |
1 |
1 |
1181 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18156 |
4.9 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
1 |
1 |
18332 |
◊ |
[NHW]A:1411 |
x-1,y,z |
1_455 |
1 |
1 |
1179 |
3.7 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
17257 |
◊ |
[NHW]C:1411 |
x-1,y,z |
1_455 |
1 |
1 |
1184 |
3.6 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
4.0 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
B |
1 |
1 |
18156 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18332 |
2.3 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
| 25 |
45 |
|
B |
1 |
1 |
18156 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
18156 |
0.6 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
|