## |
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 |
73 |
20 |
9918 |
◊ |
B |
y+1,x-1,-z |
4_645 |
73 |
20 |
9918 |
672.6 |
-5.2 |
0.208 |
10 |
0 |
0 |
0.027 |
2 |
2 |
|
A |
72 |
19 |
9674 |
x |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
75 |
18 |
9674 |
597.4 |
-0.5 |
0.503 |
5 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
52 |
16 |
9918 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
9674 |
524.9 |
-5.4 |
0.163 |
7 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
41 |
13 |
9674 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
46 |
11 |
9918 |
415.6 |
0.5 |
0.581 |
8 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
20 |
6 |
9674 |
◊ |
B |
y,x-1,-z |
4_545 |
16 |
7 |
9918 |
177.8 |
1.2 |
0.492 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[GOL]A:1292 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
9674 |
137.7 |
-0.3 |
0.520 |
3 |
0 |
0 |
0.001 |
7 |
7 |
|
A |
11 |
4 |
9674 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
11 |
4 |
9674 |
133.7 |
2.4 |
0.861 |
4 |
0 |
0 |
0.000 |
8 |
8 |
|
[GOL]B:1299 |
6 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
9918 |
130.5 |
-0.5 |
0.469 |
3 |
0 |
0 |
0.010 |
9 |
9 |
|
B |
18 |
7 |
9918 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
13 |
3 |
9674 |
126.5 |
0.3 |
0.512 |
1 |
1 |
0 |
0.000 |
10 |
10 |
|
[GOL]B:1296 |
6 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
9918 |
122.0 |
-1.8 |
0.339 |
1 |
0 |
0 |
0.013 |
11 |
11 |
|
B |
10 |
4 |
9918 |
x |
B |
y,x-1,-z |
4_545 |
13 |
5 |
9918 |
115.7 |
0.3 |
0.608 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[GOL]B:1300 |
6 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
9918 |
113.4 |
-0.2 |
0.468 |
2 |
0 |
0 |
0.006 |
13 |
13 |
|
[GOL]B:1295 |
5 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
9918 |
112.9 |
0.2 |
0.530 |
2 |
0 |
0 |
0.004 |
14 |
14 |
|
[GOL]A:1296 |
6 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
9674 |
110.2 |
-0.4 |
0.459 |
2 |
0 |
0 |
0.001 |
15 |
15 |
|
[SO4]B:1304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9918 |
104.2 |
-16.5 |
0.613 |
7 |
0 |
0 |
0.111 |
16 |
16 |
|
[GOL]A:1299 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9674 |
101.6 |
-0.5 |
0.455 |
3 |
0 |
0 |
0.002 |
17 |
17 |
|
[SO4]A:1303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9674 |
99.0 |
-15.6 |
0.590 |
4 |
0 |
0 |
0.015 |
18 |
18 |
|
[GOL]B:1309 |
6 |
1 |
211 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
16 |
7 |
9918 |
96.7 |
0.6 |
0.610 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
B |
11 |
5 |
9918 |
◊ |
[GOL]A:1293 |
y,x-1,-z |
4_545 |
6 |
1 |
207 |
92.7 |
0.9 |
0.668 |
3 |
0 |
0 |
0.000 |
20 |
20 |
|
[GOL]B:1292 |
6 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9918 |
92.4 |
-0.2 |
0.493 |
3 |
0 |
0 |
0.009 |
21 |
21 |
|
[GOL]B:1297 |
6 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
9918 |
91.7 |
-0.2 |
0.527 |
3 |
0 |
0 |
0.009 |
22 |
22 |
|
[GOL]B:1294 |
6 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9918 |
88.0 |
-0.7 |
0.411 |
1 |
0 |
0 |
0.006 |
23 |
23 |
|
[GOL]B:1293 |
5 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9918 |
87.1 |
0.2 |
0.549 |
1 |
0 |
0 |
0.001 |
24 |
24 |
|
[GOL]A:1294 |
6 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9674 |
86.4 |
-0.5 |
0.494 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[GOL]A:1295 |
5 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9674 |
84.7 |
-0.5 |
0.476 |
2 |
0 |
0 |
0.001 |
26 |
26 |
|
A |
11 |
5 |
9674 |
f |
[SO4]A:1304 |
-x+1,-x+y,-z+1/3 |
6_655 |
5 |
1 |
186 |
74.5 |
-10.5 |
0.821 |
1 |
0 |
0 |
0.009 |
27 |
27 |
|
[GOL]A:1300 |
6 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9674 |
74.0 |
-0.1 |
0.524 |
1 |
0 |
0 |
0.000 |
28 |
28 |
|
[SO4]B:1307 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9918 |
72.6 |
-11.0 |
0.588 |
2 |
0 |
0 |
0.067 |
29 |
29 |
|
[SO4]B:1306 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9918 |
71.2 |
-10.5 |
0.491 |
1 |
0 |
0 |
0.062 |
30 |
30 |
|
[SO4]A:1304 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9674 |
70.0 |
-10.0 |
0.837 |
2 |
0 |
0 |
0.000 |
31 |
31 |
|
[GOL]B:1298 |
5 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9918 |
66.7 |
0.3 |
0.621 |
3 |
0 |
0 |
0.006 |
32 |
32 |
|
[GOL]A:1297 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9674 |
64.2 |
-0.0 |
0.544 |
2 |
0 |
0 |
0.000 |
33 |
33 |
|
[CL]B:1303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
9918 |
61.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.043 |
34 |
34 |
|
[GOL]A:1319 |
4 |
1 |
211 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
8 |
3 |
9674 |
60.4 |
0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
35 |
35 |
|
[GOL]A:1298 |
6 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9918 |
59.9 |
-0.3 |
0.475 |
1 |
0 |
0 |
0.004 |
36 |
36 |
|
[SO4]B:1308 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9918 |
58.1 |
-7.2 |
0.881 |
2 |
0 |
0 |
0.046 |
37 |
37 |
|
[GOL]A:1300 |
4 |
1 |
210 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
9918 |
55.7 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
38 |
38 |
|
[SO4]B:1308 |
4 |
1 |
186 |
◊ |
B |
y+1,x-1,-z |
4_645 |
8 |
2 |
9918 |
55.1 |
-6.5 |
0.830 |
1 |
0 |
0 |
0.039 |
39 |
39 |
|
[GOL]A:1298 |
5 |
1 |
212 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
9674 |
54.1 |
-0.8 |
0.367 |
0 |
0 |
0 |
0.000 |
40 |
40 |
|
[GOL]A:1293 |
5 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
9674 |
49.7 |
-1.0 |
0.387 |
0 |
0 |
0 |
0.000 |
41 |
41 |
|
B |
6 |
4 |
9918 |
f |
[GOL]B:1320 |
-x+1,-x+y,-z+1/3 |
6_655 |
4 |
1 |
210 |
49.3 |
-0.1 |
0.574 |
2 |
0 |
0 |
0.005 |
42 |
42 |
|
[SO4]B:1305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
1 |
9918 |
49.3 |
-6.0 |
0.831 |
0 |
0 |
0 |
0.034 |
43 |
43 |
|
[GOL]A:1299 |
5 |
1 |
209 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
7 |
3 |
9918 |
44.3 |
0.5 |
0.640 |
0 |
0 |
0 |
0.000 |
44 |
44 |
|
[ZN]B:1301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9918 |
42.6 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.148 |
45 |
|
[ZN]A:1302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9674 |
40.2 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
41.4 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.148 |
45 |
46 |
|
[ZN]B:1302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9918 |
36.5 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.149 |
47 |
|
[ZN]A:1301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9674 |
34.0 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
35.3 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.149 |
46 |
48 |
|
[GOL]A:1297 |
4 |
1 |
210 |
f |
[GOL]A:1295 |
x,y,z |
1_555 |
4 |
1 |
208 |
34.8 |
-0.3 |
0.513 |
1 |
0 |
0 |
0.000 |
47 |
49 |
|
[SO4]B:1305 |
3 |
1 |
186 |
◊ |
A |
y,x-1,-z |
4_545 |
2 |
1 |
9674 |
32.6 |
-3.7 |
0.893 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[GOL]A:1319 |
2 |
1 |
211 |
◊ |
[GOL]A:1300 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
3 |
1 |
210 |
29.1 |
-0.3 |
0.344 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[SO4]B:1307 |
4 |
1 |
186 |
f |
[GOL]A:1298 |
x,y,z |
1_555 |
3 |
1 |
212 |
27.6 |
-3.2 |
0.676 |
1 |
0 |
0 |
0.021 |
50 |
52 |
|
B |
4 |
3 |
9918 |
◊ |
A |
y,x-1,-z |
4_545 |
4 |
2 |
9674 |
25.3 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[ZN]A:1301 |
1 |
1 |
98 |
f |
[GOL]A:1296 |
x,y,z |
1_555 |
4 |
1 |
210 |
24.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
54 |
|
[ZN]A:1302 |
1 |
1 |
98 |
f |
[GOL]A:1296 |
x,y,z |
1_555 |
3 |
1 |
210 |
23.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
55 |
|
[GOL]B:1296 |
3 |
1 |
209 |
◊ |
B |
y+1,x-1,-z |
4_645 |
2 |
1 |
9918 |
22.4 |
-0.1 |
0.357 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[CL]B:1303 |
1 |
1 |
125 |
f |
[ZN]B:1302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.063 |
55 |
57 |
|
[GOL]B:1309 |
3 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9674 |
21.4 |
-0.4 |
0.359 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[CL]B:1303 |
1 |
1 |
125 |
f |
[ZN]B:1301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.060 |
57 |
59 |
|
[GOL]A:1298 |
3 |
1 |
212 |
◊ |
[GOL]A:1296 |
x,y,z |
1_555 |
2 |
1 |
210 |
15.4 |
-0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
58 |
60 |
|
A |
2 |
1 |
9674 |
◊ |
[SO4]B:1308 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
15.0 |
-2.1 |
0.463 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
A |
2 |
1 |
9674 |
◊ |
[SO4]B:1306 |
y,x-1,-z |
4_545 |
2 |
1 |
187 |
13.6 |
-1.7 |
0.715 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[SO4]B:1305 |
3 |
1 |
186 |
f |
[GOL]B:1300 |
x,y,z |
1_555 |
2 |
1 |
211 |
12.6 |
-1.3 |
0.761 |
0 |
0 |
0 |
0.007 |
61 |
63 |
|
[GOL]B:1300 |
2 |
1 |
211 |
◊ |
[GOL]A:1293 |
y,x-1,-z |
4_545 |
2 |
1 |
207 |
11.6 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
B |
2 |
1 |
9918 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
2 |
1 |
9674 |
11.3 |
0.3 |
0.596 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[ZN]A:1302 |
1 |
1 |
98 |
f |
[ZN]A:1301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.007 |
64 |
66 |
|
[SO4]A:1303 |
2 |
1 |
186 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
2 |
2 |
9674 |
9.9 |
-0.9 |
0.916 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[ZN]B:1302 |
1 |
1 |
98 |
f |
[ZN]B:1301 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.044 |
66 |
68 |
|
[CL]B:1303 |
1 |
1 |
125 |
f |
[GOL]B:1297 |
x,y,z |
1_555 |
1 |
1 |
209 |
8.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
67 |
69 |
|
[GOL]B:1320 |
1 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9674 |
4.9 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|