## |
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 |
|
D |
172 |
39 |
6554 |
◊ |
D |
y,x,-z |
4_555 |
170 |
39 |
6554 |
1899.2 |
-27.5 |
0.173 |
8 |
32 |
0 |
0.938 |
2 |
|
C |
173 |
40 |
6519 |
◊ |
C |
y,x,-z |
4_555 |
175 |
39 |
6519 |
1811.3 |
-30.4 |
0.096 |
3 |
26 |
0 |
0.938 |
Average: |
1855.3 |
-28.9 |
0.134 |
6 |
29 |
0 |
0.938 |
2 |
3 |
|
B |
193 |
51 |
17751 |
◊ |
A |
x,y,z |
1_555 |
182 |
50 |
18026 |
1831.4 |
-23.2 |
0.056 |
10 |
7 |
0 |
0.173 |
3 |
4 |
|
A |
96 |
22 |
18026 |
◊ |
A |
y,x,-z |
4_555 |
97 |
23 |
18026 |
937.4 |
-16.0 |
0.037 |
2 |
6 |
0 |
0.119 |
5 |
|
B |
95 |
21 |
17751 |
◊ |
B |
y,x,-z |
4_555 |
95 |
21 |
17751 |
897.6 |
-16.9 |
0.018 |
0 |
0 |
0 |
0.119 |
Average: |
917.5 |
-16.5 |
0.028 |
1 |
3 |
0 |
0.119 |
4 |
6 |
|
D |
77 |
22 |
6554 |
◊ |
B |
x,y,z |
1_555 |
103 |
28 |
17751 |
872.3 |
-8.9 |
0.312 |
4 |
6 |
0 |
0.148 |
7 |
|
C |
77 |
23 |
6519 |
◊ |
A |
x,y,z |
1_555 |
99 |
28 |
18026 |
863.6 |
-8.2 |
0.424 |
2 |
5 |
0 |
0.148 |
Average: |
868.0 |
-8.6 |
0.368 |
3 |
6 |
0 |
0.148 |
5 |
8 |
|
B |
49 |
12 |
17751 |
◊ |
A |
x,y,z-1 |
1_554 |
47 |
14 |
18026 |
451.7 |
-3.2 |
0.356 |
1 |
4 |
0 |
0.000 |
6 |
9 |
|
A |
41 |
13 |
18026 |
◊ |
B |
-y+1,x-y+1,z+2/3 |
2_665 |
42 |
13 |
17751 |
406.3 |
-5.7 |
0.185 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[TSA]C:102 |
15 |
1 |
339 |
f |
C |
x,y,z |
1_555 |
34 |
14 |
6519 |
209.8 |
1.3 |
0.535 |
4 |
0 |
0 |
0.104 |
11 |
|
[TSA]D:103 |
15 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
33 |
14 |
6554 |
205.0 |
0.9 |
0.491 |
6 |
0 |
0 |
0.104 |
Average: |
207.4 |
1.1 |
0.513 |
5 |
0 |
0 |
0.104 |
8 |
12 |
|
B |
21 |
6 |
17751 |
x |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
18 |
7 |
17751 |
180.4 |
-2.9 |
0.232 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[GOL]B:502 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
17751 |
138.7 |
-0.4 |
0.576 |
1 |
0 |
0 |
0.012 |
10 |
14 |
|
[GOL]A:502 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
18026 |
135.1 |
-1.1 |
0.511 |
2 |
0 |
0 |
0.026 |
11 |
15 |
|
[GOL]B:504 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
17751 |
124.5 |
0.1 |
0.640 |
1 |
0 |
0 |
0.004 |
12 |
16 |
|
[GOL]B:503 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17751 |
122.4 |
-0.6 |
0.566 |
1 |
0 |
0 |
0.014 |
13 |
17 |
|
[SO4]B:506 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
17751 |
118.2 |
-19.1 |
0.783 |
4 |
0 |
0 |
0.294 |
14 |
18 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18026 |
113.4 |
-17.5 |
0.728 |
2 |
0 |
0 |
0.245 |
15 |
19 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18026 |
95.5 |
-12.8 |
0.907 |
0 |
0 |
0 |
0.171 |
16 |
20 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17751 |
90.3 |
-13.1 |
0.827 |
2 |
0 |
0 |
0.197 |
17 |
21 |
|
[SO4]A:508 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
18026 |
73.6 |
-11.2 |
0.633 |
1 |
0 |
0 |
0.155 |
18 |
22 |
|
[GOL]D:101 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6554 |
72.2 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
18026 |
69.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.126 |
20 |
24 |
|
[TSA]D:103 |
10 |
1 |
337 |
◊ |
D |
y,x,-z |
4_555 |
9 |
3 |
6554 |
66.9 |
0.3 |
0.398 |
0 |
0 |
0 |
0.002 |
25 |
|
[TSA]C:102 |
9 |
1 |
339 |
◊ |
C |
y,x,-z |
4_555 |
9 |
4 |
6519 |
65.0 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.002 |
Average: |
66.0 |
0.1 |
0.385 |
0 |
0 |
0 |
0.002 |
21 |
26 |
|
[MN]B:501 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17751 |
62.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.081 |
27 |
|
[MN]A:501 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
4 |
4 |
18026 |
61.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
62.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.081 |
22 |
28 |
|
[SO4]D:102 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
17751 |
62.7 |
-7.3 |
0.862 |
0 |
0 |
0 |
0.103 |
23 |
29 |
|
[SO4]C:101 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6519 |
61.5 |
-8.8 |
0.691 |
0 |
0 |
0 |
0.231 |
24 |
30 |
|
[GOL]D:101 |
5 |
1 |
220 |
f |
D |
y,x,-z |
4_555 |
5 |
2 |
6554 |
60.5 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[SO4]A:508 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
17751 |
60.0 |
-7.3 |
0.734 |
2 |
0 |
0 |
0.050 |
26 |
32 |
|
[SO4]A:506 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
18026 |
55.1 |
-6.9 |
0.867 |
0 |
0 |
0 |
0.070 |
27 |
33 |
|
[SO4]D:102 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6554 |
53.9 |
-6.5 |
0.932 |
1 |
0 |
0 |
0.088 |
28 |
34 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6519 |
53.8 |
-6.7 |
0.898 |
1 |
0 |
0 |
0.187 |
29 |
35 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17751 |
53.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.101 |
30 |
36 |
|
[SO4]D:102 |
4 |
1 |
185 |
◊ |
B |
y,x,-z |
4_555 |
3 |
2 |
17751 |
39.9 |
-3.8 |
0.983 |
0 |
0 |
0 |
0.053 |
31 |
37 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18026 |
39.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.065 |
32 |
38 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
C |
y,x,-z |
4_555 |
3 |
1 |
6519 |
38.9 |
-3.9 |
0.957 |
0 |
0 |
0 |
0.102 |
33 |
39 |
|
[SO4]A:506 |
4 |
1 |
186 |
◊ |
A |
y,x,-z |
4_555 |
3 |
2 |
18026 |
38.0 |
-3.5 |
0.984 |
0 |
0 |
0 |
0.026 |
34 |
40 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18026 |
36.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
35 |
41 |
|
[GOL]B:503 |
4 |
1 |
218 |
◊ |
B |
y,x,-z |
4_555 |
5 |
2 |
17751 |
35.8 |
-0.5 |
0.363 |
0 |
0 |
0 |
0.008 |
36 |
42 |
|
[GOL]B:504 |
2 |
1 |
221 |
f |
[GOL]B:503 |
x,y,z |
1_555 |
4 |
1 |
218 |
25.2 |
-0.3 |
0.402 |
0 |
0 |
0 |
0.004 |
37 |
43 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17751 |
20.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
44 |
|
[CL]A:503 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y+1,z+2/3 |
2_665 |
3 |
2 |
17751 |
9.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[SO4]A:505 |
1 |
1 |
185 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
8.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.018 |
40 |
46 |
|
[TSA]D:103 |
1 |
1 |
337 |
◊ |
[GOL]D:101 |
x,y,z |
1_555 |
3 |
1 |
220 |
5.9 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[GOL]B:502 |
1 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18026 |
3.9 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[SO4]B:506 |
1 |
1 |
185 |
f |
[MN]B:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
43 |
49 |
|
[GOL]A:502 |
1 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17751 |
2.3 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|