## |
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 |
|
D |
326 |
90 |
15176 |
◊ |
C |
x,y,z |
1_555 |
332 |
87 |
14919 |
3126.5 |
-28.8 |
0.180 |
35 |
8 |
0 |
0.635 |
2 |
|
B |
312 |
86 |
14627 |
◊ |
A |
x,y,z |
1_555 |
310 |
82 |
15158 |
3003.2 |
-25.3 |
0.253 |
33 |
8 |
0 |
0.635 |
Average: |
3064.8 |
-27.1 |
0.217 |
34 |
8 |
0 |
0.635 |
2 |
3 |
|
C |
56 |
15 |
14919 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
15158 |
477.4 |
-5.9 |
0.264 |
3 |
7 |
0 |
0.098 |
4 |
|
D |
52 |
14 |
15176 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
14627 |
466.1 |
-5.0 |
0.338 |
2 |
6 |
0 |
0.098 |
Average: |
471.7 |
-5.5 |
0.301 |
3 |
7 |
0 |
0.098 |
3 |
5 |
|
A |
45 |
12 |
15158 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
53 |
14 |
14919 |
445.6 |
3.9 |
0.888 |
3 |
9 |
0 |
0.000 |
4 |
6 |
|
C |
40 |
13 |
14919 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
11 |
15176 |
305.4 |
-1.1 |
0.582 |
2 |
3 |
0 |
0.000 |
7 |
|
A |
37 |
11 |
15158 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
13 |
14627 |
281.7 |
-2.0 |
0.516 |
1 |
0 |
0 |
0.000 |
Average: |
293.6 |
-1.5 |
0.549 |
2 |
2 |
0 |
0.000 |
5 |
8 |
|
A |
29 |
7 |
15158 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
28 |
12 |
14919 |
254.2 |
1.6 |
0.822 |
3 |
6 |
0 |
0.000 |
6 |
9 |
|
B |
27 |
7 |
14627 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
5 |
14919 |
225.0 |
-2.6 |
0.351 |
1 |
1 |
0 |
0.023 |
7 |
10 |
|
[PEP]C:402 |
10 |
1 |
284 |
f |
C |
x,y,z |
1_555 |
31 |
16 |
14919 |
199.6 |
-5.2 |
0.566 |
9 |
0 |
0 |
0.126 |
8 |
11 |
|
[PEP]B:402 |
10 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
14627 |
193.4 |
-5.1 |
0.542 |
7 |
0 |
0 |
0.127 |
9 |
12 |
|
[PEP]A:402 |
10 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
15158 |
193.0 |
-4.3 |
0.670 |
8 |
0 |
0 |
0.122 |
13 |
|
[PEP]D:402 |
10 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
15176 |
191.1 |
-5.4 |
0.539 |
7 |
0 |
0 |
0.122 |
Average: |
192.0 |
-4.9 |
0.604 |
8 |
0 |
0 |
0.122 |
10 |
14 |
|
A |
21 |
8 |
15158 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
22 |
8 |
15176 |
169.3 |
-0.8 |
0.562 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
[PEG]C:405 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
14919 |
161.5 |
4.4 |
0.505 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
25 |
8 |
15158 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
3 |
15176 |
159.9 |
-0.6 |
0.444 |
1 |
1 |
0 |
0.009 |
13 |
17 |
|
[EDO]A:404 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15158 |
116.6 |
2.8 |
0.382 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
D |
11 |
5 |
15176 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15158 |
98.3 |
-0.7 |
0.503 |
0 |
0 |
0 |
0.003 |
19 |
|
C |
7 |
2 |
14919 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
14627 |
55.5 |
0.2 |
0.694 |
0 |
0 |
0 |
0.003 |
Average: |
76.9 |
-0.3 |
0.598 |
0 |
0 |
0 |
0.003 |
15 |
20 |
|
[EDO]C:404 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
14919 |
75.9 |
1.7 |
0.235 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]A:405 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
15158 |
72.9 |
1.4 |
0.704 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
B |
6 |
1 |
14627 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
5 |
3 |
14919 |
65.1 |
-0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[MN]C:401 |
1 |
1 |
123 |
cf |
C |
x,y,z |
1_555 |
5 |
5 |
14919 |
54.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
24 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14627 |
54.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.137 |
25 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
15176 |
53.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.137 |
26 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
15158 |
46.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
52.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.137 |
19 |
27 |
|
A |
5 |
3 |
15158 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
8 |
4 |
15176 |
44.4 |
0.2 |
0.528 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
B |
9 |
5 |
14627 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
3 |
15176 |
38.4 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
B |
4 |
1 |
14627 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
15176 |
34.8 |
1.3 |
0.916 |
1 |
2 |
0 |
0.000 |
22 |
30 |
|
[PEP]A:402 |
4 |
1 |
288 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
31 |
|
[PEP]D:402 |
5 |
1 |
286 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
24.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
32 |
|
[PEP]B:402 |
5 |
1 |
286 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
24 |
33 |
|
[PEP]C:402 |
4 |
1 |
284 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
21.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
25 |
34 |
|
[EDO]A:404 |
3 |
1 |
186 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
35 |
|
A |
1 |
1 |
15158 |
f |
[PEG]C:405 |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
260 |
17.5 |
0.6 |
0.410 |
1 |
0 |
0 |
0.000 |
27 |
36 |
|
A |
2 |
1 |
15158 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
15176 |
14.1 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
|