## |
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 |
177 |
51 |
13389 |
◊ |
B |
x,y,z |
1_555 |
179 |
51 |
13507 |
1707.5 |
-17.7 |
0.163 |
17 |
0 |
0 |
0.075 |
2 |
|
D |
184 |
52 |
14009 |
◊ |
A |
x,y,z |
1_555 |
177 |
51 |
13471 |
1691.0 |
-17.0 |
0.204 |
15 |
0 |
0 |
0.075 |
Average: |
1699.3 |
-17.3 |
0.183 |
16 |
0 |
0 |
0.075 |
2 |
3 |
|
D |
91 |
30 |
14009 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
95 |
31 |
13507 |
910.9 |
-9.5 |
0.228 |
7 |
8 |
0 |
0.037 |
4 |
|
A |
84 |
27 |
13471 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
88 |
28 |
13389 |
830.2 |
-9.6 |
0.191 |
6 |
8 |
0 |
0.037 |
Average: |
870.6 |
-9.5 |
0.209 |
7 |
8 |
0 |
0.037 |
3 |
5 |
|
B |
81 |
25 |
13507 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
77 |
25 |
13389 |
707.8 |
0.1 |
0.658 |
11 |
4 |
0 |
0.000 |
4 |
6 |
|
D |
43 |
15 |
14009 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
42 |
13 |
13389 |
347.2 |
-4.1 |
0.311 |
2 |
0 |
0 |
0.014 |
7 |
|
A |
42 |
12 |
13471 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
41 |
12 |
13507 |
343.7 |
-4.4 |
0.286 |
2 |
0 |
0 |
0.014 |
Average: |
345.5 |
-4.3 |
0.298 |
2 |
0 |
0 |
0.014 |
5 |
8 |
|
[S17]B:1379 |
24 |
1 |
652 |
f |
B |
x,y,z |
1_555 |
48 |
19 |
13507 |
345.4 |
-5.8 |
0.224 |
2 |
0 |
0 |
0.020 |
6 |
9 |
|
D |
33 |
5 |
14009 |
◊ |
C |
x,y,z |
1_555 |
49 |
16 |
13389 |
340.5 |
-5.4 |
0.125 |
4 |
3 |
0 |
0.000 |
7 |
10 |
|
[S17]A:1378 |
22 |
1 |
650 |
f |
A |
x,y,z |
1_555 |
44 |
18 |
13471 |
339.4 |
-6.1 |
0.166 |
2 |
0 |
0 |
0.033 |
11 |
|
[S17]C:1380 |
21 |
1 |
655 |
f |
C |
x,y,z |
1_555 |
45 |
19 |
13389 |
338.8 |
-5.9 |
0.162 |
3 |
0 |
0 |
0.033 |
12 |
|
[S17]D:1381 |
20 |
1 |
659 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
14009 |
336.1 |
-5.1 |
0.275 |
2 |
0 |
0 |
0.033 |
Average: |
338.1 |
-5.7 |
0.201 |
2 |
0 |
0 |
0.033 |
8 |
13 |
|
B |
29 |
9 |
13507 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
30 |
9 |
13389 |
245.6 |
0.8 |
0.773 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
30 |
10 |
13471 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
9 |
14009 |
235.7 |
-0.0 |
0.679 |
2 |
0 |
0 |
0.000 |
Average: |
240.7 |
0.4 |
0.726 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
B |
21 |
10 |
13507 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
25 |
10 |
14009 |
187.5 |
2.6 |
0.919 |
3 |
4 |
0 |
0.000 |
10 |
16 |
|
[S17]D:1381 |
16 |
1 |
659 |
◊ |
A |
x,y,z |
1_555 |
24 |
4 |
13471 |
168.9 |
-2.2 |
0.497 |
0 |
0 |
0 |
0.011 |
17 |
|
[S17]C:1380 |
17 |
1 |
655 |
◊ |
B |
x,y,z |
1_555 |
24 |
4 |
13507 |
167.7 |
-2.4 |
0.462 |
0 |
0 |
0 |
0.011 |
18 |
|
[S17]A:1378 |
15 |
1 |
650 |
◊ |
D |
x,y,z |
1_555 |
20 |
4 |
14009 |
147.6 |
-2.2 |
0.400 |
0 |
0 |
0 |
0.011 |
Average: |
161.4 |
-2.3 |
0.453 |
0 |
0 |
0 |
0.011 |
11 |
19 |
|
[S17]B:1379 |
12 |
1 |
652 |
◊ |
C |
x,y,z |
1_555 |
18 |
3 |
13389 |
118.5 |
-1.9 |
0.424 |
0 |
0 |
0 |
0.006 |
12 |
20 |
|
[K]B:1378 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
13507 |
114.4 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.639 |
21 |
|
[K]C:1379 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
13389 |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.639 |
22 |
|
[K]A:1377 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13471 |
113.5 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.639 |
23 |
|
[K]D:1380 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
14009 |
113.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.639 |
Average: |
113.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.639 |
13 |
24 |
|
[GOL]D:1376 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14009 |
103.0 |
-1.1 |
0.384 |
0 |
0 |
0 |
0.003 |
14 |
25 |
|
A |
12 |
6 |
13471 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
11 |
4 |
13507 |
87.8 |
-1.0 |
0.442 |
0 |
1 |
0 |
0.000 |
15 |
26 |
|
[GOL]C:1376 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
13389 |
86.0 |
-0.5 |
0.486 |
1 |
0 |
0 |
0.003 |
16 |
27 |
|
[CL]D:1382 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
14009 |
55.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.024 |
17 |
28 |
|
[GOL]D:1376 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13389 |
43.5 |
-0.6 |
0.345 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[GOL]C:1376 |
4 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
14009 |
42.8 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[GOL]D:1376 |
4 |
1 |
219 |
◊ |
[GOL]C:1376 |
x,y,z |
1_555 |
5 |
1 |
216 |
39.0 |
-0.0 |
0.574 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[ZN]D:1378 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
14009 |
36.4 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.073 |
21 |
32 |
|
[ZN]C:1377 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
7 |
13389 |
35.2 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.147 |
33 |
|
[ZN]D:1377 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
7 |
14009 |
35.0 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.147 |
34 |
|
[ZN]B:1376 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
7 |
13507 |
34.7 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.147 |
35 |
|
[ZN]A:1375 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
13471 |
34.7 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
34.9 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.147 |
22 |
36 |
|
[S17]A:1378 |
4 |
1 |
650 |
f |
[ZN]A:1375 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.079 |
37 |
|
[S17]C:1380 |
4 |
1 |
655 |
f |
[ZN]C:1377 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.079 |
38 |
|
[S17]D:1381 |
4 |
1 |
659 |
f |
[ZN]D:1377 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.079 |
39 |
|
[S17]B:1379 |
4 |
1 |
652 |
f |
[ZN]B:1376 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
31.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.079 |
23 |
40 |
|
[CL]D:1382 |
1 |
1 |
125 |
f |
[ZN]D:1378 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.034 |
24 |
41 |
|
[CL]D:1382 |
1 |
1 |
125 |
f |
[GOL]D:1376 |
x,y,z |
1_555 |
2 |
1 |
219 |
15.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.003 |
25 |
42 |
|
[GOL]D:1376 |
2 |
1 |
219 |
f |
[ZN]D:1378 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.004 |
26 |
43 |
|
[CL]D:1382 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13389 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[S17]C:1380 |
1 |
1 |
655 |
f |
[K]C:1378 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
|
[S17]D:1381 |
1 |
1 |
659 |
f |
[K]D:1379 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
46 |
|
[S17]A:1378 |
1 |
1 |
650 |
f |
[K]A:1376 |
x,y,z |
1_555 |
1 |
1 |
216 |
0.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
1.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
28 |
47 |
|
[K]B:1377 |
1 |
1 |
216 |
f |
[ZN]B:1376 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
48 |
|
[K]D:1379 |
1 |
1 |
216 |
f |
[ZN]D:1377 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
[S17]B:1379 |
1 |
1 |
652 |
f |
[K]B:1377 |
x,y,z |
1_555 |
1 |
1 |
216 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|