## |
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 |
95 |
9 |
3688 |
◊ |
A |
x,y,z |
1_555 |
105 |
39 |
18005 |
908.4 |
-13.6 |
0.385 |
21 |
0 |
0 |
0.473 |
2 |
2 |
|
F |
90 |
9 |
3720 |
◊ |
D |
x,y,z |
1_555 |
101 |
35 |
17895 |
868.2 |
-13.1 |
0.436 |
18 |
0 |
0 |
0.408 |
3 |
3 |
|
C |
55 |
13 |
3688 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
2825 |
530.0 |
-7.9 |
0.578 |
32 |
0 |
0 |
0.973 |
4 |
4 |
|
F |
54 |
13 |
3720 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
2828 |
521.6 |
-8.2 |
0.601 |
32 |
0 |
0 |
0.952 |
5 |
5 |
|
E |
60 |
8 |
2828 |
◊ |
D |
x,y,z |
1_555 |
62 |
20 |
17895 |
503.7 |
-11.2 |
0.350 |
11 |
0 |
0 |
0.323 |
6 |
6 |
|
B |
58 |
8 |
2825 |
◊ |
A |
x,y,z |
1_555 |
61 |
23 |
18005 |
488.6 |
-7.9 |
0.425 |
15 |
0 |
0 |
0.393 |
7 |
7 |
|
A |
31 |
10 |
18005 |
x |
A |
x-1/2,-y-1/2,-z |
3_445 |
32 |
10 |
18005 |
295.1 |
3.6 |
0.820 |
4 |
5 |
0 |
0.000 |
8 |
|
D |
28 |
9 |
17895 |
x |
D |
x-1/2,-y-1/2,-z-1 |
3_444 |
30 |
10 |
17895 |
240.5 |
2.2 |
0.755 |
4 |
6 |
0 |
0.000 |
Average: |
267.8 |
2.9 |
0.787 |
4 |
6 |
0 |
0.000 |
8 |
9 |
|
D |
28 |
9 |
17895 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
18005 |
293.2 |
-4.0 |
0.162 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
31 |
9 |
17895 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
9 |
18005 |
283.7 |
-4.8 |
0.109 |
3 |
0 |
0 |
0.000 |
Average: |
288.5 |
-4.4 |
0.136 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[LTP]D:405 |
22 |
1 |
513 |
f |
D |
x,y,z |
1_555 |
43 |
18 |
17895 |
264.5 |
3.3 |
0.208 |
7 |
0 |
0 |
0.003 |
12 |
|
[LTP]A:405 |
22 |
1 |
507 |
f |
A |
x,y,z |
1_555 |
42 |
18 |
18005 |
251.0 |
3.0 |
0.197 |
7 |
0 |
0 |
0.003 |
Average: |
257.7 |
3.2 |
0.203 |
7 |
0 |
0 |
0.003 |
10 |
13 |
|
C |
30 |
4 |
3688 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
31 |
10 |
17895 |
263.9 |
-0.2 |
0.580 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
24 |
4 |
3720 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
26 |
9 |
18005 |
216.9 |
0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
240.4 |
0.2 |
0.556 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
19 |
2 |
2825 |
◊ |
D |
-x,y-1/2,-z-1/2 |
4_544 |
22 |
7 |
17895 |
193.2 |
0.4 |
0.622 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
E |
18 |
2 |
2828 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
20 |
7 |
18005 |
181.8 |
-1.0 |
0.460 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
26 |
10 |
17895 |
x |
D |
-x,y-1/2,-z-1/2 |
4_544 |
22 |
6 |
17895 |
180.3 |
-1.0 |
0.414 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
26 |
10 |
18005 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
22 |
5 |
18005 |
177.2 |
-1.3 |
0.386 |
0 |
0 |
0 |
0.000 |
Average: |
178.8 |
-1.2 |
0.400 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[DOC]B:101 |
15 |
1 |
429 |
cf |
B |
x,y,z |
1_555 |
15 |
1 |
2825 |
118.3 |
1.9 |
0.516 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[DOC]E:101 |
14 |
1 |
434 |
cf |
E |
x,y,z |
1_555 |
12 |
1 |
2828 |
112.4 |
0.7 |
0.476 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[ACT]A:403 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18005 |
95.9 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.017 |
17 |
22 |
|
[DOC]B:101 |
10 |
1 |
429 |
◊ |
[LTP]A:405 |
x,y,z |
1_555 |
11 |
1 |
507 |
91.9 |
4.1 |
0.286 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[DOC]B:101 |
7 |
1 |
429 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3688 |
82.8 |
0.5 |
0.470 |
4 |
0 |
0 |
0.058 |
19 |
24 |
|
[ACT]D:404 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
14 |
8 |
17895 |
82.5 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[ACT]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
18005 |
77.3 |
0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[DOC]E:101 |
9 |
1 |
434 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
3720 |
72.7 |
0.6 |
0.482 |
3 |
0 |
0 |
0.032 |
22 |
27 |
|
[LTP]A:405 |
6 |
1 |
507 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3688 |
68.8 |
0.6 |
0.374 |
4 |
0 |
0 |
0.024 |
23 |
28 |
|
[DOC]E:101 |
7 |
1 |
434 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
17895 |
68.0 |
-2.3 |
0.226 |
2 |
0 |
0 |
0.064 |
24 |
29 |
|
D |
9 |
3 |
17895 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
6 |
18005 |
66.7 |
2.2 |
0.834 |
1 |
1 |
0 |
0.000 |
25 |
30 |
|
[LTP]D:405 |
6 |
1 |
513 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
3720 |
66.4 |
0.9 |
0.376 |
3 |
0 |
0 |
0.009 |
26 |
31 |
|
[DOC]E:101 |
8 |
1 |
434 |
◊ |
[LTP]D:405 |
x,y,z |
1_555 |
8 |
1 |
513 |
59.7 |
2.4 |
0.310 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[DOC]B:101 |
5 |
1 |
429 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18005 |
50.9 |
-1.9 |
0.231 |
0 |
0 |
0 |
0.052 |
28 |
33 |
|
F |
7 |
2 |
3720 |
◊ |
D |
x-1/2,-y-1/2,-z-1 |
3_444 |
3 |
1 |
17895 |
50.3 |
0.6 |
0.685 |
2 |
0 |
0 |
0.000 |
29 |
34 |
|
F |
4 |
1 |
3720 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
18005 |
41.4 |
-1.2 |
0.422 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
3 |
1 |
3688 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17895 |
19.7 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
30.6 |
-0.7 |
0.475 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[CA]D:402 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
17895 |
31.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.161 |
37 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18005 |
29.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
30.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.161 |
31 |
38 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
17895 |
31.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.110 |
32 |
39 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
18005 |
29.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.167 |
40 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
17895 |
29.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
29.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.167 |
33 |
41 |
|
[ACT]A:404 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
2825 |
27.7 |
-1.2 |
0.451 |
0 |
0 |
0 |
0.051 |
34 |
42 |
|
[LTP]D:405 |
3 |
1 |
513 |
f |
[CA]D:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.215 |
43 |
|
[LTP]A:405 |
3 |
1 |
507 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.215 |
44 |
|
[LTP]D:405 |
5 |
1 |
513 |
f |
[CA]D:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.215 |
45 |
|
[LTP]A:405 |
5 |
1 |
507 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.215 |
Average: |
25.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.215 |
35 |
46 |
|
[DOC]E:101 |
3 |
1 |
434 |
f |
[ACT]D:404 |
x,y,z |
1_555 |
3 |
1 |
182 |
16.0 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.172 |
36 |
47 |
|
[CA]D:401 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
2828 |
14.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
48 |
|
[CA]D:403 |
1 |
1 |
85 |
f |
[CA]D:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.074 |
38 |
49 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.097 |
39 |
50 |
|
[DOC]B:101 |
3 |
1 |
429 |
◊ |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
51 |
|
A |
1 |
1 |
18005 |
◊ |
D |
x-1/2,-y-1/2,-z |
3_445 |
3 |
1 |
17895 |
8.7 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
D |
1 |
1 |
17895 |
◊ |
E |
x-1/2,-y-1/2,-z-1 |
3_444 |
1 |
1 |
2828 |
3.9 |
-0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
D |
1 |
1 |
17895 |
◊ |
A |
-x,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
18005 |
2.2 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
A |
1 |
1 |
18005 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
1 |
1 |
2825 |
1.3 |
-0.0 |
0.449 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[DOC]B:101 |
1 |
1 |
429 |
f |
[ACT]A:404 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.5 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.002 |
|