## |
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 |
232 |
64 |
20702 |
◊ |
A |
x,y,z |
1_555 |
244 |
70 |
20714 |
2154.0 |
-14.7 |
0.364 |
22 |
9 |
0 |
0.639 |
2 |
|
C |
236 |
68 |
20569 |
◊ |
A |
x,y,z |
1_555 |
230 |
63 |
20714 |
2136.6 |
-14.6 |
0.352 |
21 |
6 |
0 |
0.639 |
3 |
|
C |
230 |
64 |
20569 |
◊ |
B |
x,y,z |
1_555 |
242 |
71 |
20702 |
2127.5 |
-14.5 |
0.372 |
21 |
7 |
0 |
0.639 |
Average: |
2139.3 |
-14.6 |
0.363 |
21 |
7 |
0 |
0.639 |
2 |
4 |
|
B |
91 |
25 |
20702 |
◊ |
B |
-x,-x+y,-z+4/3 |
6_556 |
87 |
25 |
20702 |
959.5 |
-15.5 |
0.031 |
8 |
0 |
0 |
1.000 |
3 |
5 |
|
B |
20 |
6 |
20702 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
21 |
6 |
20714 |
187.7 |
0.1 |
0.674 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
20 |
5 |
20569 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
20 |
8 |
20714 |
173.9 |
-2.0 |
0.359 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
23 |
7 |
20569 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
16 |
3 |
20714 |
142.9 |
-2.0 |
0.331 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
16 |
3 |
20702 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
19 |
7 |
20702 |
114.6 |
-2.1 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
128.7 |
-2.0 |
0.332 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
[NAG]C:401 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
16 |
5 |
20569 |
106.7 |
1.3 |
0.237 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[NDG]B:401 |
10 |
1 |
350 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
20702 |
98.3 |
2.4 |
0.338 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[HO]A:412 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
20714 |
96.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.797 |
12 |
|
[HO]B:413 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
20702 |
94.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.797 |
13 |
|
[HO]C:414 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
20569 |
94.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.797 |
Average: |
95.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.797 |
9 |
14 |
|
[MAN]B:408 |
9 |
1 |
299 |
cf |
[NAG]B:409 |
x,y,z |
1_555 |
10 |
1 |
361 |
92.9 |
3.4 |
0.104 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[NAG]A:401 |
10 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
20714 |
82.7 |
0.9 |
0.218 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[BR]A:417 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20714 |
82.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
1.000 |
17 |
|
[BR]B:418 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20702 |
79.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
1.000 |
18 |
|
[BR]C:416 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
20569 |
79.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
80.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
1.000 |
12 |
19 |
|
[NAG]C:403 |
9 |
1 |
366 |
cf |
[NAG]C:401 |
x,y,z |
1_555 |
7 |
1 |
362 |
75.9 |
1.8 |
0.079 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[FUL]A:402 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20714 |
74.7 |
0.8 |
0.328 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
B |
14 |
4 |
20702 |
◊ |
[NAG]A:401 |
-y,x-y-1,z+1/3 |
2_545 |
5 |
1 |
354 |
74.7 |
3.1 |
0.744 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[NDG]B:401 |
8 |
1 |
350 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
13 |
4 |
20714 |
74.6 |
2.1 |
0.326 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
[BMA]A:404 |
9 |
1 |
299 |
f |
[NAG]A:409 |
x,y,z |
1_555 |
6 |
1 |
364 |
73.3 |
3.1 |
0.186 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[NDG]B:401 |
7 |
1 |
350 |
cf |
[NAG]B:403 |
x,y,z |
1_555 |
7 |
1 |
360 |
66.9 |
1.7 |
0.081 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[BMA]A:408 |
7 |
1 |
298 |
cf |
[NAG]A:409 |
x,y,z |
1_555 |
9 |
1 |
364 |
65.4 |
1.8 |
0.090 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[HO]A:412 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
20569 |
65.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.065 |
27 |
|
[HO]B:413 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20714 |
60.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.065 |
28 |
|
[HO]C:414 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20702 |
57.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
61.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.065 |
20 |
29 |
|
[HO]A:411 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20702 |
63.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.073 |
30 |
|
[HO]A:411 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
20569 |
63.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.073 |
31 |
|
[HO]A:411 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
20714 |
62.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
63.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.073 |
21 |
32 |
|
[NAG]A:403 |
10 |
1 |
355 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
6 |
1 |
354 |
62.4 |
1.6 |
0.070 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[MAN]B:408 |
8 |
1 |
299 |
cf |
[BMA]B:404 |
x,y,z |
1_555 |
6 |
1 |
296 |
62.0 |
2.8 |
0.175 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[BMA]B:404 |
6 |
1 |
296 |
cf |
[NAG]B:403 |
x,y,z |
1_555 |
6 |
1 |
360 |
60.2 |
1.2 |
0.124 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[PO4]B:415 |
4 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20569 |
59.4 |
-3.8 |
0.621 |
2 |
0 |
0 |
0.039 |
25 |
36 |
|
[BMA]A:404 |
7 |
1 |
299 |
cf |
[NAG]A:403 |
x,y,z |
1_555 |
5 |
1 |
355 |
58.7 |
0.9 |
0.099 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[BMA]A:408 |
5 |
1 |
298 |
cf |
[BMA]A:404 |
x,y,z |
1_555 |
5 |
1 |
299 |
58.7 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[PO4]B:415 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
20702 |
54.3 |
-3.3 |
0.689 |
1 |
0 |
0 |
0.032 |
28 |
39 |
|
[MAN]B:405 |
6 |
1 |
292 |
cf |
[BMA]B:404 |
x,y,z |
1_555 |
4 |
1 |
296 |
53.6 |
1.6 |
0.239 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[FUC]B:402 |
6 |
1 |
283 |
cf |
[NDG]B:401 |
x,y,z |
1_555 |
8 |
1 |
350 |
53.2 |
2.1 |
0.160 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[FUC]B:402 |
7 |
1 |
283 |
f |
[NAG]B:403 |
x,y,z |
1_555 |
8 |
1 |
360 |
53.2 |
2.9 |
0.246 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[NAG]A:409 |
3 |
1 |
364 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
4 |
1 |
355 |
45.2 |
1.9 |
0.344 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[FUC]B:402 |
5 |
1 |
283 |
◊ |
[NAG]A:403 |
-y,x-y-1,z+1/3 |
2_545 |
6 |
1 |
355 |
43.7 |
1.3 |
0.167 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[FUL]A:402 |
4 |
1 |
281 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
3 |
1 |
354 |
43.5 |
2.0 |
0.418 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[PO4]B:415 |
5 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
20714 |
42.5 |
-2.4 |
0.686 |
0 |
0 |
0 |
0.021 |
35 |
46 |
|
[NAG]B:403 |
4 |
1 |
360 |
◊ |
[FUL]A:402 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
281 |
40.7 |
1.4 |
0.290 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[FUC]B:402 |
4 |
1 |
283 |
◊ |
[NAG]A:401 |
-y,x-y-1,z+1/3 |
2_545 |
9 |
1 |
354 |
40.5 |
1.0 |
0.076 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[FUC]B:402 |
7 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20702 |
40.4 |
0.9 |
0.240 |
2 |
0 |
0 |
0.004 |
38 |
49 |
|
[FUL]A:402 |
6 |
1 |
281 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
7 |
1 |
355 |
38.0 |
1.9 |
0.129 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[BMA]B:404 |
4 |
1 |
296 |
f |
[NAG]B:409 |
x,y,z |
1_555 |
6 |
1 |
361 |
36.7 |
1.0 |
0.125 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[NAG]B:409 |
2 |
1 |
361 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
20714 |
30.8 |
2.0 |
0.771 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[BMA]B:404 |
3 |
1 |
296 |
◊ |
[BMA]A:408 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
298 |
29.0 |
0.7 |
0.272 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
[MAN]B:408 |
3 |
1 |
299 |
◊ |
[FUL]A:402 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
281 |
28.9 |
1.2 |
0.269 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[MAN]B:405 |
3 |
1 |
292 |
f |
[NAG]B:403 |
x,y,z |
1_555 |
5 |
1 |
360 |
26.4 |
0.2 |
0.107 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[FUC]B:402 |
4 |
1 |
283 |
◊ |
[FUL]A:402 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
281 |
25.9 |
0.9 |
0.312 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[NAG]B:403 |
4 |
1 |
360 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
20714 |
25.9 |
1.1 |
0.457 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[NDG]B:401 |
4 |
1 |
350 |
◊ |
[NAG]A:401 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
354 |
24.3 |
1.1 |
0.180 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[BMA]B:404 |
3 |
1 |
296 |
◊ |
[FUL]A:402 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
281 |
24.2 |
1.2 |
0.472 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[FUC]B:402 |
2 |
1 |
283 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
4 |
2 |
20714 |
23.7 |
1.3 |
0.779 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
B |
2 |
1 |
20702 |
◊ |
[BMA]A:408 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
298 |
22.0 |
0.7 |
0.489 |
1 |
0 |
0 |
0.000 |
50 |
61 |
|
[BR]B:418 |
1 |
1 |
133 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
20569 |
20.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.058 |
62 |
|
[BR]C:416 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
20714 |
18.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.058 |
63 |
|
[BR]A:417 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20702 |
13.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
17.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.058 |
51 |
64 |
|
[NAG]B:403 |
2 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
20702 |
20.5 |
0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
[FUC]B:402 |
3 |
1 |
283 |
◊ |
[BMA]A:408 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
298 |
19.7 |
1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
53 |
66 |
|
[MAN]B:405 |
1 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
20702 |
13.1 |
0.1 |
0.283 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
B |
1 |
1 |
20702 |
◊ |
[NAG]A:403 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
355 |
12.8 |
0.5 |
0.337 |
0 |
0 |
0 |
0.000 |
55 |
68 |
|
[FUC]B:402 |
4 |
1 |
283 |
◊ |
[BMA]A:404 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
299 |
12.0 |
0.6 |
0.181 |
0 |
0 |
0 |
0.000 |
56 |
69 |
|
[MAN]B:405 |
3 |
1 |
292 |
◊ |
[BMA]A:408 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
298 |
11.7 |
0.5 |
0.237 |
0 |
0 |
0 |
0.000 |
57 |
70 |
|
[NAG]B:403 |
3 |
1 |
360 |
◊ |
[BMA]A:408 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
298 |
9.2 |
0.2 |
0.203 |
0 |
0 |
0 |
0.000 |
58 |
71 |
|
[MAN]B:408 |
4 |
1 |
299 |
f |
[NAG]B:403 |
x,y,z |
1_555 |
2 |
1 |
360 |
8.9 |
0.2 |
0.148 |
0 |
0 |
0 |
0.000 |
59 |
72 |
|
[FUC]B:402 |
1 |
1 |
283 |
◊ |
[NAG]A:409 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
364 |
6.9 |
0.2 |
0.207 |
0 |
0 |
0 |
0.000 |
60 |
73 |
|
[BMA]A:408 |
2 |
1 |
298 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
1 |
1 |
355 |
6.3 |
-0.3 |
0.188 |
0 |
0 |
0 |
0.012 |
61 |
74 |
|
[BMA]B:404 |
1 |
1 |
296 |
◊ |
[BMA]A:404 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
299 |
5.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
62 |
75 |
|
[MAN]B:408 |
2 |
1 |
299 |
◊ |
[BMA]A:404 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
299 |
4.1 |
0.1 |
0.219 |
0 |
0 |
0 |
0.000 |
63 |
76 |
|
[BMA]A:404 |
1 |
1 |
299 |
f |
[FUL]A:402 |
x,y,z |
1_555 |
1 |
1 |
281 |
3.0 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
64 |
77 |
|
[NAG]B:403 |
1 |
1 |
360 |
◊ |
[NAG]A:401 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
354 |
3.0 |
0.1 |
0.175 |
0 |
0 |
0 |
0.000 |
65 |
78 |
|
[NAG]A:403 |
3 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20714 |
2.7 |
-0.1 |
0.202 |
0 |
0 |
0 |
0.003 |
66 |
79 |
|
[FUC]B:402 |
1 |
1 |
283 |
f |
[BMA]B:404 |
x,y,z |
1_555 |
1 |
1 |
296 |
0.7 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
67 |
80 |
|
[MAN]B:408 |
1 |
1 |
299 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
20714 |
0.4 |
0.0 |
0.355 |
0 |
0 |
0 |
0.000 |
68 |
81 |
|
[NAG]C:403 |
1 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
20569 |
0.3 |
-0.0 |
0.272 |
0 |
0 |
0 |
0.000 |
69 |
82 |
|
B |
1 |
1 |
20702 |
◊ |
[NAG]A:409 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
364 |
0.3 |
0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
|