## |
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 |
|
C |
126 |
32 |
6563 |
◊ |
B |
x,y,z |
1_555 |
119 |
29 |
6578 |
1086.6 |
-12.0 |
0.295 |
14 |
0 |
0 |
0.389 |
2 |
|
B |
120 |
33 |
6578 |
◊ |
A |
x,y,z |
1_555 |
113 |
29 |
6586 |
1060.5 |
-12.2 |
0.263 |
15 |
0 |
0 |
0.389 |
3 |
|
C |
113 |
29 |
6563 |
◊ |
A |
x,y,z |
1_555 |
118 |
33 |
6586 |
1049.7 |
-12.5 |
0.210 |
13 |
0 |
0 |
0.389 |
Average: |
1065.6 |
-12.2 |
0.256 |
14 |
0 |
0 |
0.389 |
2 |
4 |
|
B |
42 |
13 |
6578 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
42 |
15 |
6586 |
341.0 |
-1.9 |
0.608 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
43 |
13 |
6586 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
41 |
15 |
6563 |
336.8 |
-1.9 |
0.585 |
3 |
0 |
0 |
0.000 |
Average: |
338.9 |
-1.9 |
0.596 |
3 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
22 |
7 |
6563 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
22 |
9 |
6586 |
189.9 |
-0.0 |
0.704 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
14 |
7 |
6578 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
5 |
6563 |
137.2 |
-0.2 |
0.651 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
14 |
7 |
6586 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
6578 |
134.1 |
-0.2 |
0.662 |
2 |
0 |
0 |
0.000 |
Average: |
135.6 |
-0.2 |
0.656 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
[GOL]C:703 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
6563 |
116.8 |
-0.9 |
0.533 |
3 |
0 |
0 |
0.016 |
6 |
10 |
|
[GOL]B:702 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
6578 |
110.8 |
-1.0 |
0.542 |
3 |
0 |
0 |
0.017 |
7 |
11 |
|
[GOL]A:701 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
6586 |
109.4 |
-0.8 |
0.533 |
3 |
0 |
0 |
0.015 |
8 |
12 |
|
[GOL]B:704 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
6578 |
88.5 |
-0.1 |
0.639 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[IPA]A:802 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6586 |
87.0 |
2.6 |
0.249 |
0 |
0 |
0 |
0.000 |
14 |
|
[IPA]B:803 |
4 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
6578 |
81.8 |
2.2 |
0.252 |
0 |
0 |
0 |
0.000 |
Average: |
84.4 |
2.4 |
0.250 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[IPA]A:801 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
6586 |
83.2 |
2.4 |
0.283 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]C:903 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6563 |
80.4 |
-11.7 |
0.748 |
6 |
0 |
0 |
0.203 |
17 |
|
[SO4]A:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6586 |
79.5 |
-11.9 |
0.738 |
6 |
0 |
0 |
0.203 |
Average: |
79.9 |
-11.8 |
0.743 |
6 |
0 |
0 |
0.203 |
12 |
18 |
|
[SO4]B:902 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6578 |
80.4 |
-11.9 |
0.765 |
6 |
0 |
0 |
0.102 |
13 |
19 |
|
[GOL]B:704 |
5 |
1 |
218 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
4 |
6586 |
76.2 |
-0.2 |
0.609 |
3 |
0 |
0 |
0.011 |
14 |
20 |
|
[IPA]A:801 |
4 |
1 |
197 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
6563 |
68.7 |
2.0 |
0.279 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]A:905 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6586 |
65.5 |
-8.6 |
0.820 |
2 |
0 |
0 |
0.067 |
16 |
22 |
|
[SO4]B:904 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
6578 |
65.3 |
-8.6 |
0.831 |
2 |
0 |
0 |
0.067 |
17 |
23 |
|
[GOL]C:703 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
6578 |
57.3 |
-0.4 |
0.538 |
1 |
0 |
0 |
0.006 |
18 |
24 |
|
[SO4]A:906 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6586 |
57.2 |
-7.1 |
0.884 |
1 |
0 |
0 |
0.053 |
19 |
25 |
|
[SO4]A:906 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6578 |
52.2 |
-6.2 |
0.874 |
0 |
0 |
0 |
0.043 |
20 |
26 |
|
[SO4]A:906 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6563 |
51.6 |
-6.1 |
0.848 |
1 |
0 |
0 |
0.046 |
21 |
27 |
|
[IPA]B:803 |
4 |
1 |
197 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
3 |
6586 |
45.8 |
1.2 |
0.179 |
0 |
0 |
0 |
0.000 |
28 |
|
[IPA]A:802 |
2 |
1 |
198 |
f |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
6563 |
27.5 |
0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
Average: |
36.7 |
0.9 |
0.315 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[SO4]A:905 |
4 |
1 |
184 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
6563 |
42.9 |
-4.2 |
0.953 |
1 |
0 |
0 |
0.000 |
23 |
30 |
|
C |
6 |
3 |
6563 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
6578 |
42.2 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[SO4]B:904 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
6586 |
39.3 |
-3.7 |
0.952 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[IPA]A:802 |
2 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6563 |
38.7 |
0.8 |
0.531 |
0 |
0 |
0 |
0.000 |
33 |
|
[IPA]B:803 |
2 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6586 |
36.6 |
0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
37.6 |
0.7 |
0.532 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[GOL]A:701 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
6563 |
36.6 |
-0.2 |
0.588 |
1 |
0 |
0 |
0.005 |
27 |
35 |
|
[GOL]B:702 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
6586 |
33.7 |
-0.5 |
0.449 |
0 |
0 |
0 |
0.003 |
28 |
36 |
|
[GOL]B:704 |
4 |
1 |
218 |
◊ |
[GOL]B:702 |
x,y,z |
1_555 |
4 |
1 |
218 |
28.4 |
0.2 |
0.646 |
2 |
0 |
0 |
0.000 |
29 |
37 |
|
[IPA]A:802 |
2 |
1 |
198 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
6578 |
27.0 |
1.0 |
0.588 |
0 |
0 |
0 |
0.000 |
38 |
|
[IPA]B:803 |
1 |
1 |
197 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
6563 |
24.6 |
0.8 |
0.587 |
0 |
0 |
0 |
0.000 |
Average: |
25.8 |
0.9 |
0.587 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[IPA]A:801 |
3 |
1 |
197 |
f |
[GOL]A:701 |
x,y,z |
1_555 |
4 |
1 |
217 |
24.2 |
0.5 |
0.692 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[GOL]B:702 |
2 |
1 |
218 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6586 |
18.3 |
0.4 |
0.826 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
[GOL]A:701 |
2 |
1 |
217 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
6563 |
14.6 |
0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[SO4]B:904 |
1 |
1 |
185 |
◊ |
[GOL]B:704 |
x,y,z |
1_555 |
1 |
1 |
218 |
5.8 |
-0.7 |
0.632 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
A |
1 |
1 |
6586 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6586 |
0.4 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
C |
1 |
1 |
6563 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
6578 |
0.2 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
|