## |
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 |
139 |
35 |
13070 |
◊ |
A |
x,y,z |
1_555 |
147 |
36 |
13050 |
1281.0 |
-10.7 |
0.274 |
24 |
14 |
0 |
0.189 |
2 |
2 |
|
B |
69 |
20 |
13070 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
62 |
19 |
13050 |
650.3 |
4.1 |
0.909 |
14 |
3 |
0 |
0.000 |
3 |
|
B |
65 |
21 |
13070 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
62 |
18 |
13050 |
598.6 |
3.6 |
0.874 |
11 |
0 |
0 |
0.000 |
Average: |
624.4 |
3.8 |
0.891 |
13 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
29 |
11 |
13070 |
◊ |
B |
-x+1,y,-z |
2_655 |
29 |
11 |
13070 |
235.7 |
-1.8 |
0.461 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
31 |
8 |
13050 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
30 |
8 |
13050 |
234.3 |
-2.5 |
0.385 |
10 |
0 |
0 |
0.000 |
5 |
6 |
|
[EDO]B:413 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
13070 |
110.9 |
3.2 |
0.450 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]A:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13050 |
103.3 |
2.9 |
0.415 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:421 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
13050 |
101.5 |
1.8 |
0.326 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:418 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13070 |
101.0 |
3.3 |
0.525 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:417 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13050 |
98.7 |
3.4 |
0.530 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:412 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13070 |
97.7 |
2.6 |
0.456 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
13050 |
91.2 |
1.9 |
0.300 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:420 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
13070 |
89.7 |
2.6 |
0.462 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
13070 |
88.3 |
1.8 |
0.321 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13070 |
77.1 |
1.6 |
0.203 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:416 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
13070 |
76.9 |
2.1 |
0.269 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:410 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
13050 |
75.9 |
1.3 |
0.208 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:416 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13050 |
74.2 |
2.0 |
0.271 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:419 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13050 |
69.2 |
1.8 |
0.813 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13050 |
65.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.151 |
21 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13070 |
65.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
65.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.151 |
20 |
22 |
|
[EDO]A:408 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13050 |
63.4 |
1.1 |
0.595 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
B |
7 |
4 |
13070 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
8 |
4 |
13070 |
61.6 |
0.8 |
0.789 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
6 |
4 |
13050 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
5 |
13050 |
54.7 |
1.5 |
0.850 |
1 |
0 |
0 |
0.000 |
Average: |
58.2 |
1.2 |
0.820 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[FMT]A:369 |
3 |
1 |
149 |
cf |
A |
x,y,z |
1_555 |
11 |
8 |
13050 |
51.2 |
-0.4 |
0.357 |
2 |
0 |
0 |
0.011 |
23 |
26 |
|
[FMT]B:369 |
3 |
1 |
149 |
cf |
B |
x,y,z |
1_555 |
10 |
8 |
13070 |
50.3 |
-0.5 |
0.357 |
2 |
0 |
0 |
0.011 |
24 |
27 |
|
B |
5 |
2 |
13070 |
◊ |
[EDO]A:411 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
184 |
47.4 |
2.0 |
0.618 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[CD]A:402 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13050 |
41.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.097 |
29 |
|
[CD]B:402 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
13070 |
38.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
40.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.097 |
26 |
30 |
|
[EDO]A:411 |
3 |
1 |
184 |
◊ |
[EDO]A:410 |
x,y,z |
1_555 |
3 |
1 |
183 |
36.7 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:421 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13070 |
34.6 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]B:420 |
4 |
1 |
182 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
4 |
1 |
183 |
30.9 |
0.8 |
1.000 |
3 |
0 |
0 |
0.004 |
29 |
33 |
|
[EDO]B:407 |
2 |
1 |
183 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
13050 |
30.6 |
1.1 |
0.940 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
B |
4 |
2 |
13070 |
f |
[EDO]A:410 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
183 |
30.6 |
0.9 |
0.932 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
13050 |
29.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.314 |
36 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
13070 |
26.5 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.314 |
Average: |
28.2 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.314 |
32 |
37 |
|
[EDO]A:421 |
2 |
1 |
184 |
◊ |
[EDO]A:406 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.0 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[CD]A:402 |
x,y,z |
1_555 |
1 |
1 |
112 |
22.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
39 |
|
[FMT]B:369 |
3 |
1 |
149 |
f |
[CD]B:402 |
x,y,z |
1_555 |
1 |
1 |
112 |
21.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
22.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
34 |
40 |
|
B |
3 |
3 |
13070 |
◊ |
[NA]A:403 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
21.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
3 |
13050 |
18.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
B |
3 |
1 |
13070 |
f |
[EDO]A:419 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
184 |
21.0 |
0.5 |
0.886 |
1 |
0 |
0 |
0.000 |
36 |
43 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.065 |
37 |
44 |
|
[FMT]B:369 |
3 |
1 |
149 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.059 |
38 |
45 |
|
B |
1 |
1 |
13070 |
f |
[EDO]B:412 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
185 |
18.1 |
0.5 |
0.960 |
1 |
0 |
0 |
0.000 |
39 |
46 |
|
[FMT]A:369 |
3 |
1 |
149 |
f |
[EDO]A:406 |
x,y,z |
1_555 |
2 |
1 |
183 |
17.5 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[FMT]B:369 |
2 |
1 |
149 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
2 |
1 |
183 |
16.9 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
B |
3 |
1 |
13070 |
f |
[EDO]A:417 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
185 |
16.7 |
0.8 |
0.629 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[EDO]A:406 |
2 |
1 |
183 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
50 |
|
[EDO]B:405 |
2 |
1 |
183 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.045 |
44 |
51 |
|
[EDO]B:418 |
1 |
1 |
186 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
13050 |
12.5 |
0.6 |
0.879 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[CD]A:402 |
1 |
1 |
112 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.046 |
46 |
53 |
|
[CD]B:402 |
1 |
1 |
112 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.042 |
47 |
54 |
|
[EDO]A:406 |
3 |
1 |
183 |
f |
[CD]A:402 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
55 |
|
[EDO]B:405 |
3 |
1 |
183 |
f |
[CD]B:402 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
49 |
56 |
|
[EDO]B:420 |
3 |
1 |
182 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.025 |
50 |
57 |
|
[EDO]B:420 |
2 |
1 |
182 |
f |
[CD]B:402 |
x,y,z |
1_555 |
1 |
1 |
112 |
9.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
51 |
58 |
|
[FMT]B:369 |
1 |
1 |
149 |
f |
[EDO]B:420 |
x,y,z |
1_555 |
1 |
1 |
182 |
3.1 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
|