## |
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 |
382 |
105 |
21167 |
◊ |
A |
x,y,z |
1_555 |
387 |
107 |
21107 |
3630.8 |
-36.0 |
0.023 |
44 |
11 |
0 |
0.308 |
2 |
|
D |
387 |
104 |
21127 |
◊ |
C |
x,y,z |
1_555 |
378 |
105 |
21149 |
3626.7 |
-36.2 |
0.016 |
45 |
11 |
0 |
0.308 |
Average: |
3628.7 |
-36.1 |
0.019 |
45 |
11 |
0 |
0.308 |
2 |
3 |
|
D |
100 |
34 |
21127 |
◊ |
B |
x,y,z |
1_555 |
105 |
35 |
21167 |
1021.7 |
-6.7 |
0.317 |
13 |
23 |
0 |
0.115 |
4 |
|
C |
98 |
34 |
21149 |
◊ |
A |
x,y,z |
1_555 |
96 |
33 |
21107 |
997.8 |
-6.8 |
0.315 |
12 |
23 |
0 |
0.115 |
Average: |
1009.8 |
-6.7 |
0.316 |
13 |
23 |
0 |
0.115 |
3 |
5 |
|
B |
70 |
19 |
21167 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
60 |
18 |
21149 |
514.8 |
-6.1 |
0.227 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
63 |
20 |
21167 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
51 |
18 |
21127 |
461.4 |
-0.6 |
0.615 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
51 |
17 |
21107 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
58 |
14 |
21167 |
451.8 |
-2.1 |
0.510 |
8 |
2 |
0 |
0.000 |
6 |
8 |
|
[TPP]C:600 |
25 |
1 |
579 |
f |
C |
x,y,z |
1_555 |
43 |
19 |
21149 |
291.9 |
-7.9 |
0.381 |
10 |
0 |
0 |
0.183 |
9 |
|
[TPP]D:600 |
25 |
1 |
578 |
f |
D |
x,y,z |
1_555 |
45 |
20 |
21127 |
291.7 |
-7.9 |
0.378 |
10 |
0 |
0 |
0.183 |
10 |
|
[TPP]B:600 |
25 |
1 |
577 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
21167 |
291.2 |
-8.0 |
0.386 |
10 |
0 |
0 |
0.183 |
11 |
|
[TPP]A:600 |
25 |
1 |
580 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
21107 |
290.3 |
-7.9 |
0.379 |
10 |
0 |
0 |
0.183 |
Average: |
291.3 |
-7.9 |
0.381 |
10 |
0 |
0 |
0.183 |
7 |
12 |
|
C |
27 |
10 |
21149 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
21167 |
220.1 |
1.7 |
0.852 |
3 |
0 |
0 |
0.000 |
13 |
|
D |
27 |
10 |
21127 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
21107 |
217.3 |
1.9 |
0.857 |
3 |
0 |
0 |
0.000 |
Average: |
218.7 |
1.8 |
0.855 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
D |
9 |
4 |
21127 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
9 |
21127 |
145.4 |
2.2 |
0.883 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
[TPP]C:600 |
10 |
1 |
579 |
◊ |
D |
x,y,z |
1_555 |
17 |
10 |
21127 |
131.3 |
0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
16 |
|
[TPP]D:600 |
10 |
1 |
578 |
◊ |
C |
x,y,z |
1_555 |
15 |
10 |
21149 |
130.0 |
0.5 |
0.605 |
0 |
0 |
0 |
0.000 |
17 |
|
[TPP]B:600 |
10 |
1 |
577 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
21107 |
129.9 |
0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
18 |
|
[TPP]A:600 |
10 |
1 |
580 |
◊ |
B |
x,y,z |
1_555 |
15 |
10 |
21167 |
129.7 |
0.4 |
0.598 |
0 |
0 |
0 |
0.000 |
Average: |
130.2 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[GOL]B:604 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
21167 |
116.3 |
-2.2 |
0.297 |
1 |
0 |
0 |
0.031 |
20 |
|
[GOL]D:604 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
21127 |
112.7 |
-1.1 |
0.399 |
1 |
0 |
0 |
0.031 |
Average: |
114.5 |
-1.7 |
0.348 |
1 |
0 |
0 |
0.031 |
11 |
21 |
|
[SO4]C:603 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
21149 |
112.3 |
-16.5 |
0.789 |
4 |
0 |
0 |
0.136 |
12 |
22 |
|
[GOL]A:604 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
21107 |
112.0 |
-2.2 |
0.298 |
1 |
0 |
0 |
0.019 |
13 |
23 |
|
[SO4]B:603 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
21167 |
110.2 |
-16.6 |
0.777 |
4 |
0 |
0 |
0.132 |
14 |
24 |
|
[SO4]A:603 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
21107 |
109.6 |
-16.6 |
0.780 |
3 |
0 |
0 |
0.133 |
15 |
25 |
|
[SO4]D:603 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
21127 |
108.2 |
-15.8 |
0.865 |
3 |
0 |
0 |
0.123 |
16 |
26 |
|
[GOL]D:1905 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
21127 |
97.8 |
-0.7 |
0.394 |
1 |
0 |
0 |
0.009 |
17 |
27 |
|
[SO4]C:602 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
21149 |
96.0 |
-15.0 |
0.606 |
2 |
0 |
0 |
0.236 |
28 |
|
[SO4]D:602 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
21127 |
95.4 |
-14.8 |
0.602 |
3 |
0 |
0 |
0.236 |
29 |
|
[SO4]B:602 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
21167 |
93.3 |
-14.7 |
0.595 |
3 |
0 |
0 |
0.236 |
30 |
|
[SO4]A:602 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
21107 |
93.0 |
-14.5 |
0.602 |
3 |
0 |
0 |
0.236 |
Average: |
94.4 |
-14.7 |
0.601 |
3 |
0 |
0 |
0.236 |
18 |
31 |
|
[GOL]D:1905 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
21167 |
76.6 |
-1.0 |
0.422 |
0 |
0 |
0 |
0.007 |
19 |
32 |
|
[SO4]B:602 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
21107 |
47.5 |
-6.0 |
0.803 |
1 |
0 |
0 |
0.067 |
33 |
|
[SO4]A:602 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
21167 |
47.1 |
-5.9 |
0.808 |
1 |
0 |
0 |
0.067 |
34 |
|
[SO4]D:602 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
21149 |
46.3 |
-5.9 |
0.790 |
1 |
0 |
0 |
0.067 |
35 |
|
[SO4]C:602 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
21127 |
44.6 |
-5.6 |
0.798 |
1 |
0 |
0 |
0.067 |
Average: |
46.4 |
-5.9 |
0.800 |
1 |
0 |
0 |
0.067 |
20 |
36 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
21167 |
40.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
37 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
21127 |
40.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
38 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
21107 |
40.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
39 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
8 |
21149 |
39.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
40.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
40 |
|
[TPP]A:600 |
4 |
1 |
580 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.071 |
41 |
|
[TPP]D:600 |
4 |
1 |
578 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.071 |
42 |
|
[TPP]B:600 |
4 |
1 |
577 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.071 |
43 |
|
[TPP]C:600 |
4 |
1 |
579 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
29.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.071 |
22 |
44 |
|
[TPP]A:600 |
3 |
1 |
580 |
f |
[SO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.9 |
-1.2 |
0.721 |
0 |
0 |
0 |
0.016 |
45 |
|
[TPP]B:600 |
3 |
1 |
577 |
f |
[SO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.2 |
-1.1 |
0.722 |
0 |
0 |
0 |
0.016 |
46 |
|
[TPP]C:600 |
3 |
1 |
579 |
f |
[SO4]C:602 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.9 |
-1.0 |
0.723 |
0 |
0 |
0 |
0.016 |
47 |
|
[TPP]D:600 |
2 |
1 |
578 |
f |
[SO4]D:602 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.6 |
-1.0 |
0.674 |
0 |
0 |
0 |
0.016 |
Average: |
9.1 |
-1.1 |
0.710 |
0 |
0 |
0 |
0.016 |
|