## |
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 |
|
B |
59 |
20 |
14425 |
◊ |
A |
x,y,z |
1_555 |
63 |
20 |
14161 |
617.6 |
-9.8 |
0.046 |
3 |
2 |
0 |
0.000 |
2 |
2 |
|
[386]B:1007 |
36 |
1 |
707 |
f |
B |
x,y,z |
1_555 |
60 |
25 |
14425 |
403.0 |
-1.4 |
0.165 |
3 |
0 |
0 |
0.004 |
3 |
|
[386]A:1010 |
34 |
1 |
700 |
f |
A |
x,y,z |
1_555 |
64 |
26 |
14161 |
399.3 |
-1.3 |
0.194 |
3 |
0 |
0 |
0.004 |
Average: |
401.2 |
-1.4 |
0.179 |
3 |
0 |
0 |
0.004 |
3 |
4 |
|
A |
42 |
11 |
14161 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
8 |
14425 |
368.8 |
-2.8 |
0.340 |
5 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
36 |
10 |
14425 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
34 |
9 |
14161 |
329.7 |
0.0 |
0.579 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
29 |
5 |
14425 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
12 |
14161 |
290.7 |
1.6 |
0.704 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
24 |
5 |
14425 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
39 |
11 |
14161 |
279.3 |
0.1 |
0.634 |
2 |
1 |
0 |
0.000 |
7 |
8 |
|
A |
38 |
14 |
14161 |
x |
A |
x-1,y,z |
1_455 |
33 |
10 |
14161 |
267.2 |
-1.7 |
0.459 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
25 |
10 |
14425 |
x |
B |
x-1,y,z |
1_455 |
31 |
13 |
14425 |
250.4 |
-0.5 |
0.508 |
2 |
1 |
0 |
0.000 |
9 |
10 |
|
[HSJ]A:1005 |
18 |
1 |
503 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
14161 |
157.6 |
1.1 |
0.268 |
2 |
0 |
0 |
0.000 |
11 |
|
[HSJ]A:1011 |
17 |
1 |
510 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
14425 |
152.6 |
0.8 |
0.263 |
0 |
0 |
0 |
0.000 |
Average: |
155.1 |
0.9 |
0.266 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[HSJ]A:1011 |
8 |
1 |
510 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
14161 |
113.9 |
1.7 |
0.400 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[HSJ]A:1005 |
9 |
1 |
503 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14425 |
111.7 |
1.7 |
0.378 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]A:1003 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
14161 |
94.9 |
-13.6 |
0.793 |
3 |
0 |
0 |
0.016 |
13 |
15 |
|
[SO4]B:1003 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
14425 |
93.6 |
-13.5 |
0.781 |
3 |
0 |
0 |
0.020 |
14 |
16 |
|
[SO4]A:1002 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14161 |
92.7 |
-12.9 |
0.845 |
4 |
0 |
0 |
0.016 |
15 |
17 |
|
[SO4]B:1002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14425 |
92.4 |
-13.4 |
0.789 |
3 |
0 |
0 |
0.020 |
16 |
18 |
|
[SO4]B:1001 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14425 |
84.4 |
-10.6 |
0.919 |
4 |
0 |
0 |
0.017 |
17 |
19 |
|
[SO4]A:1001 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14161 |
82.3 |
-10.2 |
0.938 |
4 |
0 |
0 |
0.013 |
18 |
20 |
|
[386]A:1010 |
13 |
1 |
700 |
f |
[HSJ]A:1005 |
x,y,z |
1_555 |
6 |
1 |
503 |
79.9 |
3.6 |
0.465 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[386]B:1007 |
12 |
1 |
707 |
f |
[HSJ]A:1011 |
x,y,z |
1_555 |
7 |
1 |
510 |
75.4 |
3.0 |
0.386 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[SO4]B:1004 |
5 |
1 |
185 |
f |
A |
-x,y-1/2,-z |
2_545 |
9 |
4 |
14161 |
71.6 |
-8.4 |
0.864 |
2 |
0 |
0 |
0.010 |
21 |
23 |
|
[NA]B:1005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14425 |
70.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.017 |
24 |
|
[NA]A:1008 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14161 |
69.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
69.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
25 |
|
[CL]A:1007 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14161 |
69.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
26 |
|
[NA]A:1009 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14161 |
68.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
|
[NA]B:1006 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14425 |
66.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
67.7 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.014 |
24 |
28 |
|
[SO4]B:1004 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14425 |
55.2 |
-5.8 |
0.946 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[CL]A:1006 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14161 |
54.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.008 |
26 |
30 |
|
B |
6 |
3 |
14425 |
f |
[SO4]A:1004 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
185 |
50.1 |
-6.8 |
0.506 |
0 |
0 |
0 |
0.009 |
27 |
31 |
|
[386]B:1007 |
7 |
1 |
707 |
◊ |
[HSJ]A:1005 |
x,y,z |
1_555 |
8 |
1 |
503 |
48.0 |
2.8 |
0.451 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[SO4]A:1004 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14161 |
46.3 |
-4.7 |
0.961 |
3 |
0 |
0 |
0.003 |
29 |
33 |
|
[386]A:1010 |
7 |
1 |
700 |
◊ |
[HSJ]A:1011 |
x,y,z |
1_555 |
5 |
1 |
510 |
27.6 |
1.7 |
0.412 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[386]B:1007 |
6 |
1 |
707 |
f |
[NA]B:1006 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.004 |
35 |
|
[386]A:1010 |
5 |
1 |
700 |
f |
[NA]A:1009 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
22.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
36 |
|
[386]B:1007 |
3 |
1 |
707 |
◊ |
[386]A:1010 |
x,y,z |
1_555 |
6 |
1 |
700 |
21.9 |
1.4 |
0.534 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[CL]A:1007 |
1 |
1 |
125 |
◊ |
[SO4]A:1004 |
x,y,z |
1_555 |
1 |
1 |
185 |
20.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.003 |
33 |
38 |
|
B |
1 |
1 |
14425 |
◊ |
[CL]A:1007 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|