## |
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 |
91 |
10 |
3797 |
◊ |
D |
x,y,z |
1_555 |
105 |
39 |
17680 |
890.9 |
-13.1 |
0.408 |
14 |
0 |
0 |
0.499 |
2 |
|
T |
88 |
10 |
3791 |
◊ |
A |
x,y,z |
1_555 |
104 |
38 |
17905 |
867.5 |
-11.8 |
0.433 |
18 |
0 |
0 |
0.499 |
Average: |
879.2 |
-12.5 |
0.421 |
16 |
0 |
0 |
0.499 |
2 |
3 |
|
B |
71 |
9 |
3162 |
◊ |
D |
x,y,z |
1_555 |
76 |
29 |
17680 |
610.8 |
-10.7 |
0.387 |
17 |
0 |
0 |
0.409 |
4 |
|
P |
69 |
9 |
3122 |
◊ |
A |
x,y,z |
1_555 |
77 |
28 |
17905 |
587.1 |
-9.7 |
0.414 |
13 |
0 |
0 |
0.409 |
Average: |
598.9 |
-10.2 |
0.401 |
15 |
0 |
0 |
0.409 |
3 |
5 |
|
C |
60 |
13 |
3797 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
3162 |
562.7 |
-8.4 |
0.615 |
33 |
0 |
0 |
0.977 |
6 |
|
T |
61 |
13 |
3791 |
◊ |
P |
x,y,z |
1_555 |
54 |
13 |
3122 |
561.9 |
-10.1 |
0.536 |
36 |
0 |
0 |
0.977 |
Average: |
562.3 |
-9.3 |
0.575 |
35 |
0 |
0 |
0.977 |
4 |
7 |
|
A |
37 |
12 |
17905 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
38 |
11 |
17905 |
310.1 |
4.1 |
0.841 |
4 |
3 |
0 |
0.000 |
8 |
|
D |
37 |
10 |
17680 |
x |
D |
-x,y-1/2,-z |
2_545 |
32 |
11 |
17680 |
251.9 |
0.2 |
0.574 |
2 |
3 |
0 |
0.000 |
Average: |
281.0 |
2.1 |
0.707 |
3 |
3 |
0 |
0.000 |
5 |
9 |
|
A |
32 |
9 |
17905 |
x |
A |
x-1,y,z |
1_455 |
31 |
9 |
17905 |
298.5 |
-5.7 |
0.071 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
33 |
9 |
17680 |
x |
D |
x-1,y,z |
1_455 |
29 |
9 |
17680 |
294.0 |
-5.4 |
0.079 |
1 |
0 |
0 |
0.000 |
Average: |
296.2 |
-5.6 |
0.075 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
T |
31 |
3 |
3791 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
30 |
9 |
17680 |
282.3 |
0.3 |
0.556 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
31 |
9 |
17905 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
29 |
3 |
3797 |
276.5 |
0.4 |
0.543 |
2 |
0 |
0 |
0.000 |
Average: |
279.4 |
0.4 |
0.550 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
[XG4]D:402 |
29 |
1 |
593 |
f |
D |
x,y,z |
1_555 |
44 |
20 |
17680 |
280.8 |
0.7 |
0.506 |
7 |
0 |
0 |
0.086 |
14 |
|
[XG4]P:101 |
29 |
1 |
583 |
f |
A |
x,y,z |
1_555 |
46 |
21 |
17905 |
273.1 |
0.9 |
0.535 |
10 |
0 |
0 |
0.086 |
Average: |
276.9 |
0.8 |
0.520 |
9 |
0 |
0 |
0.086 |
8 |
15 |
|
A |
29 |
10 |
17905 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
17680 |
224.1 |
-1.4 |
0.394 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
21 |
5 |
17905 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
26 |
10 |
17680 |
214.4 |
-1.1 |
0.426 |
0 |
0 |
0 |
0.000 |
Average: |
219.2 |
-1.2 |
0.410 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[A38]T:5 |
22 |
1 |
469 |
◊ |
A |
x,y,z |
1_555 |
37 |
16 |
17905 |
221.7 |
-0.1 |
0.356 |
1 |
0 |
0 |
0.014 |
18 |
|
[A38]C:5 |
22 |
1 |
455 |
◊ |
D |
x,y,z |
1_555 |
36 |
15 |
17680 |
218.6 |
0.2 |
0.350 |
1 |
0 |
0 |
0.014 |
Average: |
220.2 |
0.0 |
0.353 |
1 |
0 |
0 |
0.014 |
10 |
19 |
|
P |
24 |
2 |
3122 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
20 |
6 |
17680 |
204.9 |
0.6 |
0.634 |
2 |
0 |
0 |
0.000 |
20 |
|
A |
21 |
7 |
17905 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
22 |
2 |
3162 |
198.9 |
0.4 |
0.602 |
2 |
0 |
0 |
0.000 |
Average: |
201.9 |
0.5 |
0.618 |
2 |
0 |
0 |
0.000 |
11 |
21 |
|
[A38]C:5 |
18 |
1 |
455 |
cf |
C |
x,y,z |
1_555 |
27 |
2 |
3797 |
168.5 |
0.8 |
0.482 |
1 |
0 |
0 |
0.000 |
22 |
|
[A38]T:5 |
19 |
1 |
469 |
cf |
T |
x,y,z |
1_555 |
23 |
2 |
3791 |
165.7 |
0.4 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
167.1 |
0.6 |
0.478 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
A |
15 |
7 |
17905 |
◊ |
D |
x,y-1,z |
1_545 |
13 |
4 |
17680 |
117.2 |
3.5 |
0.899 |
1 |
1 |
0 |
0.000 |
13 |
24 |
|
[XG4]D:402 |
17 |
1 |
593 |
◊ |
B |
x,y,z |
1_555 |
15 |
1 |
3162 |
104.4 |
1.0 |
0.495 |
1 |
0 |
0 |
0.000 |
25 |
|
[XG4]P:101 |
18 |
1 |
583 |
◊ |
P |
x,y,z |
1_555 |
15 |
1 |
3122 |
103.7 |
0.9 |
0.527 |
0 |
0 |
0 |
0.000 |
Average: |
104.0 |
1.0 |
0.511 |
1 |
0 |
0 |
0.000 |
14 |
26 |
|
[GOL]D:401 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
23 |
10 |
17680 |
104.3 |
1.0 |
0.714 |
6 |
0 |
0 |
0.039 |
27 |
|
[GOL]A:401 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
17905 |
102.6 |
1.0 |
0.721 |
6 |
0 |
0 |
0.039 |
Average: |
103.4 |
1.0 |
0.718 |
6 |
0 |
0 |
0.039 |
15 |
28 |
|
C |
9 |
2 |
3797 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
17680 |
89.4 |
-0.2 |
0.620 |
2 |
0 |
0 |
0.000 |
29 |
|
A |
8 |
2 |
17905 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
1 |
3791 |
66.4 |
-0.2 |
0.613 |
1 |
0 |
0 |
0.000 |
Average: |
77.9 |
-0.2 |
0.617 |
2 |
0 |
0 |
0.000 |
16 |
30 |
|
[XG4]D:402 |
12 |
1 |
593 |
◊ |
C |
x,y,z |
1_555 |
11 |
1 |
3797 |
56.1 |
1.9 |
0.686 |
0 |
0 |
0 |
0.000 |
31 |
|
[XG4]P:101 |
12 |
1 |
583 |
◊ |
T |
x,y,z |
1_555 |
10 |
1 |
3791 |
53.5 |
1.8 |
0.687 |
0 |
0 |
0 |
0.000 |
Average: |
54.8 |
1.8 |
0.686 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[A38]C:5 |
4 |
1 |
455 |
◊ |
[XG4]D:402 |
x,y,z |
1_555 |
4 |
1 |
593 |
50.1 |
1.0 |
0.508 |
2 |
0 |
0 |
0.021 |
33 |
|
[A38]T:5 |
4 |
1 |
469 |
◊ |
[XG4]P:101 |
x,y,z |
1_555 |
5 |
1 |
583 |
47.6 |
0.9 |
0.511 |
4 |
0 |
0 |
0.021 |
Average: |
48.8 |
1.0 |
0.509 |
3 |
0 |
0 |
0.021 |
18 |
34 |
|
[GOL]A:401 |
5 |
1 |
219 |
f |
P |
x,y,z |
1_555 |
3 |
1 |
3122 |
36.2 |
-1.7 |
0.282 |
0 |
0 |
0 |
0.100 |
35 |
|
[GOL]D:401 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
3162 |
32.9 |
-1.5 |
0.356 |
1 |
0 |
0 |
0.100 |
Average: |
34.5 |
-1.6 |
0.319 |
1 |
0 |
0 |
0.100 |
19 |
36 |
|
T |
5 |
1 |
3791 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
17905 |
34.2 |
-1.4 |
0.364 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
4 |
1 |
3797 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
17680 |
20.0 |
-1.1 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
-1.2 |
0.387 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
17905 |
33.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.145 |
39 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
17680 |
31.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
32.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.145 |
21 |
40 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[XG4]P:101 |
x,y,z |
1_555 |
4 |
1 |
583 |
28.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
41 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[XG4]D:402 |
x,y,z |
1_555 |
4 |
1 |
593 |
26.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
42 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
17680 |
28.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.108 |
43 |
|
[MG]P:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17905 |
27.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
27.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
44 |
|
[MG]P:102 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
6 |
1 |
3122 |
26.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.064 |
45 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
3162 |
24.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
25.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.064 |
24 |
46 |
|
[MG]P:102 |
1 |
1 |
98 |
f |
[XG4]P:101 |
x,y,z |
1_555 |
4 |
1 |
583 |
25.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.083 |
47 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[XG4]D:402 |
x,y,z |
1_555 |
4 |
1 |
593 |
23.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
24.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.083 |
25 |
48 |
|
D |
1 |
1 |
17680 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
3162 |
22.4 |
-0.4 |
0.352 |
1 |
0 |
0 |
0.000 |
49 |
|
P |
1 |
1 |
3122 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
17905 |
4.7 |
-0.2 |
0.341 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
-0.3 |
0.346 |
1 |
0 |
0 |
0.000 |
26 |
50 |
|
[A38]T:5 |
2 |
1 |
469 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
3122 |
18.7 |
0.7 |
0.588 |
0 |
0 |
0 |
0.000 |
51 |
|
[A38]C:5 |
2 |
1 |
455 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3162 |
10.8 |
0.4 |
0.530 |
0 |
0 |
0 |
0.000 |
Average: |
14.7 |
0.6 |
0.559 |
0 |
0 |
0 |
0.000 |
27 |
52 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[MG]D:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
28 |
53 |
|
[MG]P:102 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
54 |
|
C |
1 |
1 |
3797 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
17680 |
4.6 |
-0.3 |
0.340 |
0 |
0 |
0 |
0.000 |
30 |
55 |
|
A |
1 |
1 |
17905 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17680 |
3.1 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
1 |
1 |
17905 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17680 |
1.9 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
D |
1 |
1 |
17680 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
17680 |
2.0 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|