## |
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 |
75 |
21 |
12428 |
◊ |
B |
x,y,z |
1_555 |
69 |
16 |
12579 |
651.9 |
3.0 |
0.735 |
12 |
11 |
0 |
0.133 |
2 |
|
B |
79 |
23 |
12579 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
12518 |
648.8 |
1.3 |
0.690 |
13 |
11 |
0 |
0.133 |
3 |
|
C |
66 |
16 |
12428 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
12518 |
629.3 |
2.6 |
0.740 |
12 |
12 |
0 |
0.133 |
Average: |
643.3 |
2.3 |
0.721 |
12 |
11 |
0 |
0.133 |
2 |
4 |
|
B |
49 |
15 |
12579 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
41 |
10 |
12518 |
431.7 |
-1.3 |
0.489 |
2 |
0 |
0 |
0.000 |
3 |
5 |
|
[38I]C:406 |
28 |
1 |
671 |
f |
C |
x,y,z |
1_555 |
57 |
20 |
12428 |
378.0 |
-6.8 |
0.536 |
4 |
0 |
0 |
0.279 |
6 |
|
[38I]B:406 |
25 |
1 |
661 |
f |
B |
x,y,z |
1_555 |
53 |
20 |
12579 |
368.4 |
-6.1 |
0.525 |
4 |
0 |
0 |
0.279 |
7 |
|
[38I]A:406 |
25 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
59 |
20 |
12518 |
365.9 |
-5.4 |
0.565 |
5 |
0 |
0 |
0.279 |
Average: |
370.8 |
-6.1 |
0.542 |
4 |
0 |
0 |
0.279 |
4 |
8 |
|
B |
32 |
12 |
12579 |
◊ |
A |
-x+1,-y+1,z |
3_665 |
38 |
12 |
12518 |
308.5 |
-0.8 |
0.388 |
4 |
2 |
0 |
0.081 |
9 |
|
C |
36 |
10 |
12428 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
29 |
10 |
12518 |
251.7 |
-1.7 |
0.333 |
3 |
0 |
0 |
0.081 |
10 |
|
C |
29 |
11 |
12428 |
◊ |
B |
y,x,-z+1 |
6_556 |
31 |
9 |
12579 |
227.7 |
-2.6 |
0.272 |
1 |
0 |
0 |
0.081 |
Average: |
262.6 |
-1.7 |
0.331 |
3 |
1 |
0 |
0.081 |
5 |
11 |
|
C |
30 |
11 |
12428 |
◊ |
C |
y,x,-z+1 |
6_556 |
31 |
11 |
12428 |
277.3 |
-2.3 |
0.335 |
0 |
0 |
0 |
0.041 |
12 |
|
B |
36 |
14 |
12579 |
◊ |
B |
-x+1,-y+1,z |
3_665 |
36 |
14 |
12579 |
277.2 |
-2.3 |
0.337 |
0 |
0 |
0 |
0.041 |
13 |
|
A |
31 |
11 |
12518 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
31 |
11 |
12518 |
276.6 |
-2.4 |
0.314 |
0 |
0 |
0 |
0.041 |
Average: |
277.0 |
-2.3 |
0.329 |
0 |
0 |
0 |
0.041 |
6 |
14 |
|
[BME]B:404 |
4 |
1 |
203 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12579 |
129.5 |
-1.0 |
0.392 |
1 |
0 |
0 |
0.050 |
7 |
15 |
|
[BME]C:404 |
4 |
1 |
207 |
cf |
C |
x,y,z |
1_555 |
13 |
6 |
12428 |
123.4 |
-0.8 |
0.385 |
0 |
0 |
0 |
0.021 |
16 |
|
[BME]A:404 |
4 |
1 |
207 |
cf |
A |
x,y,z |
1_555 |
12 |
7 |
12518 |
116.8 |
-1.0 |
0.328 |
1 |
0 |
0 |
0.021 |
Average: |
120.1 |
-0.9 |
0.356 |
1 |
0 |
0 |
0.021 |
8 |
17 |
|
[BEN]C:403 |
9 |
1 |
281 |
◊ |
C |
y,x,-z+1 |
6_556 |
13 |
7 |
12428 |
121.4 |
2.8 |
0.138 |
3 |
0 |
0 |
0.000 |
9 |
18 |
|
[BEN]B:403 |
9 |
1 |
279 |
◊ |
B |
-x+1,-y+1,z |
3_665 |
17 |
7 |
12579 |
120.7 |
2.7 |
0.144 |
3 |
0 |
0 |
0.000 |
19 |
|
[BEN]A:403 |
9 |
1 |
278 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
14 |
7 |
12518 |
119.0 |
2.7 |
0.137 |
2 |
0 |
0 |
0.000 |
Average: |
119.8 |
2.7 |
0.140 |
3 |
0 |
0 |
0.000 |
10 |
20 |
|
[BME]C:405 |
4 |
1 |
207 |
cf |
C |
x,y,z |
1_555 |
9 |
6 |
12428 |
100.6 |
-1.3 |
0.228 |
0 |
0 |
0 |
0.012 |
11 |
21 |
|
[BME]A:405 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12518 |
89.5 |
-1.2 |
0.298 |
2 |
0 |
0 |
0.019 |
12 |
22 |
|
[BEN]C:403 |
7 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
12428 |
78.7 |
1.5 |
0.093 |
1 |
0 |
0 |
0.000 |
23 |
|
[BEN]B:403 |
8 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12579 |
77.8 |
1.5 |
0.055 |
1 |
0 |
0 |
0.000 |
24 |
|
[BEN]A:403 |
8 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
12518 |
77.6 |
1.5 |
0.053 |
1 |
0 |
0 |
0.000 |
Average: |
78.0 |
1.5 |
0.067 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
[BME]B:405 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12579 |
76.7 |
0.1 |
0.353 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[38I]B:406 |
5 |
1 |
661 |
◊ |
B |
-x+1,-y+1,z |
3_665 |
10 |
4 |
12579 |
76.2 |
-8.3 |
0.138 |
0 |
0 |
0 |
0.294 |
27 |
|
[38I]A:406 |
5 |
1 |
660 |
◊ |
A |
-y+1,-x+1,-z+1 |
8_666 |
8 |
4 |
12518 |
71.0 |
-7.9 |
0.125 |
0 |
0 |
0 |
0.294 |
28 |
|
[38I]C:406 |
4 |
1 |
671 |
◊ |
C |
y,x,-z+1 |
6_556 |
9 |
3 |
12428 |
58.6 |
-6.5 |
0.211 |
0 |
0 |
0 |
0.294 |
Average: |
68.6 |
-7.6 |
0.158 |
0 |
0 |
0 |
0.294 |
15 |
29 |
|
[BME]B:405 |
3 |
1 |
207 |
f |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
13 |
3 |
12518 |
70.5 |
-1.2 |
0.356 |
1 |
0 |
0 |
0.015 |
16 |
30 |
|
[BEN]A:403 |
6 |
1 |
278 |
◊ |
[BEN]A:403 |
-y+1,-x+1,-z+1 |
8_666 |
6 |
1 |
278 |
41.6 |
2.7 |
0.032 |
0 |
0 |
0 |
0.000 |
31 |
|
[BEN]B:403 |
6 |
1 |
279 |
◊ |
[BEN]B:403 |
-x+1,-y+1,z |
3_665 |
6 |
1 |
279 |
41.0 |
2.7 |
0.030 |
0 |
0 |
0 |
0.000 |
32 |
|
[BEN]C:403 |
6 |
1 |
281 |
◊ |
[BEN]C:403 |
y,x,-z+1 |
6_556 |
6 |
1 |
281 |
40.0 |
2.6 |
0.025 |
0 |
0 |
0 |
0.000 |
Average: |
40.9 |
2.7 |
0.029 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
12518 |
40.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
34 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
12579 |
40.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
35 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
12428 |
39.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
40.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
18 |
36 |
|
[MN]A:401 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12518 |
39.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
37 |
|
[MN]B:401 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12579 |
39.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
38 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
12428 |
39.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
39.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
19 |
39 |
|
[38I]C:406 |
4 |
1 |
671 |
f |
[MN]C:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.086 |
40 |
|
[38I]B:406 |
5 |
1 |
661 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.086 |
41 |
|
[38I]A:406 |
5 |
1 |
660 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
35.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
35.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.086 |
20 |
42 |
|
[38I]C:406 |
4 |
1 |
671 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.067 |
43 |
|
[38I]A:406 |
4 |
1 |
660 |
f |
[MN]A:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
34.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.067 |
44 |
|
[38I]B:406 |
4 |
1 |
661 |
f |
[MN]B:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
34.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.067 |
21 |
45 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.064 |
22 |
46 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.016 |
23 |
47 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.016 |
|