## |
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 |
288 |
77 |
21827 |
◊ |
A |
x,y,z |
1_555 |
284 |
76 |
22536 |
2833.5 |
-36.9 |
0.040 |
25 |
11 |
0 |
0.156 |
2 |
2 |
|
B |
128 |
37 |
21827 |
◊ |
A |
-x,y,-z+1 |
2_556 |
128 |
35 |
22536 |
1296.1 |
-17.3 |
0.102 |
5 |
4 |
0 |
0.069 |
3 |
3 |
|
B |
148 |
39 |
21827 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
134 |
42 |
22536 |
1206.4 |
-6.5 |
0.662 |
6 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
98 |
32 |
21827 |
◊ |
B |
-x,y,-z |
2_555 |
99 |
32 |
21827 |
962.5 |
-6.6 |
0.505 |
6 |
8 |
0 |
0.000 |
5 |
5 |
|
A |
48 |
12 |
22536 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
9 |
22536 |
353.0 |
-4.3 |
0.293 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
[B3P]B:610 |
16 |
1 |
469 |
◊ |
B |
x,y,z |
1_555 |
25 |
13 |
21827 |
229.7 |
4.1 |
0.489 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[B3P]A:609 |
14 |
1 |
470 |
◊ |
A |
x,y,z |
1_555 |
26 |
14 |
22536 |
228.7 |
2.2 |
0.383 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
26 |
7 |
21827 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
21 |
6 |
21827 |
204.8 |
-1.2 |
0.510 |
3 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
24 |
6 |
22536 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
23 |
10 |
21827 |
200.4 |
2.4 |
0.816 |
2 |
3 |
0 |
0.000 |
10 |
10 |
|
[PG4]B:608 |
13 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
22536 |
189.9 |
2.3 |
0.227 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[PG4]B:608 |
11 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
21827 |
158.8 |
2.7 |
0.280 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[SCN]A:607 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
22536 |
112.4 |
-3.6 |
0.508 |
0 |
0 |
0 |
0.012 |
13 |
13 |
|
[K]B:603 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
12 |
21827 |
111.8 |
-94.7 |
0.000 |
0 |
0 |
0 |
0.643 |
14 |
|
[K]A:603 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
12 |
22536 |
110.0 |
-93.6 |
0.000 |
0 |
0 |
0 |
0.643 |
Average: |
110.9 |
-94.2 |
0.000 |
0 |
0 |
0 |
0.643 |
14 |
15 |
|
[SCN]B:605 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
21827 |
110.4 |
-3.6 |
0.507 |
0 |
0 |
0 |
0.012 |
15 |
16 |
|
A |
18 |
6 |
22536 |
◊ |
[PEG]A:608 |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
1 |
258 |
109.0 |
2.3 |
0.294 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[SCN]A:605 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
22536 |
104.2 |
-3.1 |
0.560 |
0 |
0 |
0 |
0.011 |
17 |
18 |
|
[OXL]B:602 |
6 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
21827 |
102.6 |
1.7 |
0.472 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[OXL]A:602 |
6 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
22536 |
101.7 |
1.6 |
0.474 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:609 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
21827 |
98.1 |
1.3 |
0.220 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[PEG]A:608 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22536 |
97.8 |
1.4 |
0.204 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[SCN]B:606 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
21827 |
96.9 |
-3.2 |
0.499 |
0 |
0 |
0 |
0.011 |
22 |
23 |
|
[SCN]A:606 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22536 |
88.6 |
-3.6 |
0.508 |
1 |
0 |
0 |
0.014 |
23 |
24 |
|
[SCN]B:607 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
21827 |
79.2 |
-1.7 |
0.380 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[CL]A:604 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
22536 |
69.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.080 |
26 |
|
[CL]B:604 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
21827 |
69.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
69.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.080 |
25 |
27 |
|
[SCN]B:607 |
3 |
1 |
183 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
11 |
5 |
22536 |
64.0 |
-3.1 |
0.468 |
0 |
0 |
0 |
0.011 |
26 |
28 |
|
[SCN]B:606 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22536 |
47.6 |
-2.4 |
0.590 |
0 |
0 |
0 |
0.007 |
27 |
29 |
|
[SCN]A:605 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
21827 |
46.8 |
-2.3 |
0.582 |
0 |
0 |
0 |
0.007 |
28 |
30 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21827 |
37.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.035 |
31 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
22536 |
37.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
37.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.035 |
29 |
32 |
|
[EDO]B:609 |
2 |
1 |
182 |
f |
[PG4]B:608 |
x,y,z |
1_555 |
3 |
1 |
396 |
36.4 |
1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
3 |
1 |
21827 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
21827 |
33.8 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[OXL]B:602 |
4 |
1 |
197 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
|
[OXL]A:602 |
4 |
1 |
198 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
31.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.023 |
32 |
36 |
|
[B3P]B:610 |
2 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
22536 |
23.4 |
-1.1 |
0.243 |
0 |
0 |
0 |
0.004 |
33 |
37 |
|
[K]A:603 |
1 |
1 |
216 |
f |
[OXL]A:602 |
x,y,z |
1_555 |
3 |
1 |
198 |
18.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.030 |
34 |
38 |
|
[B3P]A:609 |
1 |
1 |
470 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
21827 |
18.1 |
-0.1 |
0.266 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
A |
3 |
1 |
22536 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
22536 |
17.7 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[K]B:603 |
1 |
1 |
216 |
f |
[OXL]B:602 |
x,y,z |
1_555 |
3 |
1 |
197 |
16.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
41 |
|
[EDO]B:609 |
2 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
22536 |
16.8 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[K]A:603 |
1 |
1 |
216 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
43 |
|
[K]B:603 |
1 |
1 |
216 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.019 |
|