## |
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 |
63 |
18 |
6776 |
◊ |
A |
x-y-1,-y-1,-z+1 |
8_446 |
63 |
16 |
6811 |
547.2 |
-2.8 |
0.537 |
1 |
2 |
0 |
0.000 |
2 |
2 |
|
B |
45 |
15 |
6776 |
◊ |
B |
-y,-x,-z+7/6 |
10_556 |
43 |
15 |
6776 |
431.4 |
-3.9 |
0.394 |
2 |
0 |
0 |
0.039 |
3 |
|
A |
38 |
14 |
6811 |
◊ |
A |
-y,-x,-z+7/6 |
10_556 |
37 |
14 |
6811 |
392.5 |
-3.3 |
0.384 |
4 |
0 |
0 |
0.039 |
Average: |
411.9 |
-3.6 |
0.389 |
3 |
0 |
0 |
0.039 |
3 |
4 |
|
B |
20 |
6 |
6776 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
6 |
6811 |
203.3 |
0.8 |
0.701 |
2 |
1 |
0 |
0.000 |
4 |
5 |
|
B |
21 |
8 |
6776 |
◊ |
A |
-y,-x,-z+7/6 |
10_556 |
24 |
8 |
6811 |
190.1 |
-0.8 |
0.530 |
2 |
0 |
0 |
0.010 |
5 |
6 |
|
[GOL]B:209 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
6776 |
140.7 |
-1.2 |
0.485 |
1 |
0 |
0 |
0.019 |
6 |
7 |
|
B |
10 |
4 |
6776 |
◊ |
B |
x-y,-y,-z+1 |
8_556 |
10 |
4 |
6776 |
107.9 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[GOL]B:210 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
6776 |
105.9 |
-1.0 |
0.496 |
1 |
0 |
0 |
0.016 |
8 |
9 |
|
[GOL]A:205 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
6811 |
103.3 |
-0.6 |
0.530 |
1 |
0 |
0 |
0.016 |
9 |
10 |
|
[SO4]B:204 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
6776 |
103.0 |
-15.1 |
0.832 |
2 |
0 |
0 |
0.184 |
10 |
11 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6811 |
102.4 |
-15.2 |
0.796 |
2 |
0 |
0 |
0.249 |
11 |
12 |
|
B |
12 |
5 |
6776 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
6811 |
96.0 |
2.7 |
0.904 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[GOL]A:206 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6811 |
93.1 |
-1.1 |
0.404 |
2 |
0 |
0 |
0.031 |
13 |
14 |
|
[GOL]A:208 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6811 |
91.2 |
-0.2 |
0.567 |
2 |
0 |
0 |
0.017 |
14 |
15 |
|
[GOL]B:211 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
6776 |
90.9 |
-1.2 |
0.426 |
2 |
0 |
0 |
0.024 |
15 |
16 |
|
[GOL]A:207 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
6811 |
89.6 |
-0.3 |
0.544 |
2 |
0 |
0 |
0.008 |
16 |
17 |
|
[GOL]B:212 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6776 |
83.3 |
1.0 |
0.704 |
4 |
0 |
0 |
0.009 |
17 |
18 |
|
B |
12 |
6 |
6776 |
◊ |
[GOL]A:206 |
x-y-1,-y-1,-z+1 |
8_446 |
5 |
1 |
219 |
78.8 |
-0.2 |
0.534 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
6776 |
78.6 |
-12.2 |
0.728 |
3 |
0 |
0 |
0.156 |
19 |
20 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6776 |
78.4 |
-10.5 |
0.744 |
2 |
0 |
0 |
0.131 |
20 |
21 |
|
[SO4]A:201 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6811 |
75.2 |
-10.0 |
0.740 |
2 |
0 |
0 |
0.169 |
21 |
22 |
|
[SO4]B:201 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
6811 |
70.1 |
-9.3 |
0.727 |
2 |
0 |
0 |
0.158 |
22 |
23 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6776 |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.119 |
24 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6811 |
55.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
55.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.119 |
23 |
25 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6776 |
55.0 |
-6.5 |
0.842 |
1 |
0 |
0 |
0.046 |
24 |
26 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6776 |
51.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.082 |
25 |
27 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6776 |
50.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.068 |
26 |
28 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6776 |
45.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.086 |
29 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6811 |
45.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
45.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
27 |
30 |
|
[GOL]B:212 |
5 |
1 |
220 |
◊ |
A |
x-y-1,-y-1,-z+1 |
8_446 |
5 |
2 |
6811 |
44.8 |
1.0 |
0.732 |
2 |
0 |
0 |
0.000 |
28 |
31 |
|
[GOL]A:207 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
6776 |
42.9 |
0.4 |
0.700 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[SO4]B:202 |
3 |
1 |
185 |
◊ |
B |
-y,-x,-z+7/6 |
10_556 |
4 |
1 |
6776 |
39.8 |
-4.4 |
0.840 |
1 |
0 |
0 |
0.056 |
30 |
33 |
|
[SO4]A:201 |
3 |
1 |
184 |
◊ |
A |
-y,-x,-z+7/6 |
10_556 |
4 |
1 |
6811 |
37.0 |
-4.2 |
0.820 |
1 |
0 |
0 |
0.072 |
31 |
34 |
|
A |
4 |
1 |
6811 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
6776 |
34.0 |
0.3 |
0.716 |
0 |
2 |
0 |
0.000 |
32 |
35 |
|
[SO4]B:203 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6811 |
33.0 |
-3.3 |
0.934 |
2 |
0 |
0 |
0.028 |
33 |
36 |
|
[CL]B:208 |
1 |
1 |
125 |
◊ |
B |
-y,-x,-z+7/6 |
10_556 |
4 |
2 |
6776 |
30.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.038 |
34 |
37 |
|
B |
2 |
1 |
6776 |
◊ |
[GOL]A:208 |
x-1,y,z |
1_455 |
3 |
1 |
218 |
28.5 |
0.8 |
0.834 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
[GOL]A:207 |
2 |
1 |
219 |
f |
[CL]B:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
39 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6776 |
26.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.037 |
40 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6811 |
22.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
24.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
41 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
A |
-y,-x,-z+7/6 |
10_556 |
3 |
1 |
6811 |
22.9 |
-1.8 |
0.962 |
2 |
0 |
0 |
0.042 |
38 |
42 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6776 |
21.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6811 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
12.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
44 |
|
[SO4]B:201 |
3 |
1 |
186 |
◊ |
B |
-y,-x,-z+7/6 |
10_556 |
3 |
1 |
6776 |
19.7 |
-1.7 |
0.959 |
1 |
0 |
0 |
0.012 |
40 |
45 |
|
A |
3 |
1 |
6811 |
x |
A |
x-y-1,-y-1,-z+1 |
8_446 |
3 |
1 |
6811 |
16.4 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[GOL]B:211 |
2 |
1 |
220 |
f |
[CL]B:208 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
42 |
47 |
|
B |
2 |
2 |
6776 |
◊ |
A |
-y-1,-x,-z+7/6 |
10_456 |
1 |
1 |
6811 |
7.8 |
-0.0 |
0.467 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[GOL]B:209 |
1 |
1 |
221 |
◊ |
B |
-y,-x,-z+7/6 |
10_556 |
1 |
1 |
6776 |
6.2 |
-0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
[SO4]B:203 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
50 |
|
[SO4]B:203 |
1 |
1 |
185 |
◊ |
[SO4]B:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.0 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.005 |
|