## |
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 |
|
A |
70 |
22 |
13743 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
70 |
22 |
13743 |
656.9 |
-7.6 |
0.159 |
0 |
0 |
0 |
0.000 |
2 |
|
C |
62 |
19 |
13166 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
59 |
20 |
13852 |
627.3 |
-6.2 |
0.226 |
1 |
3 |
0 |
0.000 |
3 |
|
D |
63 |
19 |
13308 |
◊ |
D |
y,x,-z |
7_555 |
60 |
19 |
13308 |
563.6 |
-9.1 |
0.065 |
0 |
0 |
0 |
0.000 |
Average: |
615.9 |
-7.6 |
0.150 |
0 |
1 |
0 |
0.000 |
2 |
4 |
|
C |
67 |
23 |
13166 |
◊ |
B |
x,y,z |
1_555 |
66 |
21 |
13852 |
626.5 |
-6.1 |
0.257 |
6 |
0 |
0 |
0.000 |
5 |
|
D |
54 |
18 |
13308 |
◊ |
A |
x,y,z |
1_555 |
57 |
18 |
13743 |
550.2 |
-4.1 |
0.316 |
8 |
0 |
0 |
0.000 |
Average: |
588.4 |
-5.1 |
0.286 |
7 |
0 |
0 |
0.000 |
3 |
6 |
|
B |
39 |
11 |
13852 |
◊ |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
28 |
10 |
13308 |
291.5 |
-3.0 |
0.235 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
28 |
10 |
13852 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
13743 |
286.7 |
-2.6 |
0.263 |
2 |
0 |
0 |
0.000 |
Average: |
289.1 |
-2.8 |
0.249 |
1 |
0 |
0 |
0.000 |
4 |
8 |
|
[NAG]B:505 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
16 |
5 |
13852 |
131.6 |
3.9 |
0.516 |
0 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:505 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
13743 |
128.8 |
4.0 |
0.516 |
1 |
0 |
0 |
0.000 |
Average: |
130.2 |
4.0 |
0.516 |
1 |
0 |
0 |
0.000 |
5 |
10 |
|
[FUL]C:504 |
9 |
1 |
278 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
12 |
5 |
13308 |
121.1 |
1.7 |
0.343 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
[FUC]C:503 |
8 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
13166 |
109.7 |
2.4 |
0.454 |
0 |
0 |
0 |
0.000 |
12 |
|
[FUC]D:503 |
8 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
13308 |
109.1 |
2.4 |
0.413 |
0 |
0 |
0 |
0.000 |
13 |
|
[FUC]B:503 |
8 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13852 |
107.2 |
2.7 |
0.445 |
0 |
0 |
0 |
0.000 |
14 |
|
[FUC]A:503 |
8 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13743 |
104.3 |
2.5 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
107.6 |
2.5 |
0.440 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
[NAG]C:505 |
8 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
13166 |
97.1 |
3.0 |
0.470 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:506 |
11 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
13743 |
92.4 |
3.0 |
0.348 |
0 |
0 |
0 |
0.000 |
Average: |
94.8 |
3.0 |
0.409 |
0 |
0 |
0 |
0.000 |
8 |
17 |
|
[FUL]B:504 |
6 |
1 |
280 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
11 |
5 |
13743 |
96.0 |
0.9 |
0.350 |
0 |
0 |
0 |
0.000 |
18 |
|
[FUL]A:504 |
7 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
13166 |
86.7 |
0.2 |
0.238 |
0 |
0 |
0 |
0.000 |
Average: |
91.4 |
0.6 |
0.294 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
[NAG]B:506 |
8 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
13 |
3 |
13852 |
92.1 |
3.0 |
0.447 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]D:505 |
9 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
13308 |
83.6 |
2.6 |
0.374 |
0 |
0 |
0 |
0.000 |
Average: |
87.9 |
2.8 |
0.411 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
C |
10 |
5 |
13166 |
◊ |
[FUL]D:504 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
8 |
1 |
278 |
86.8 |
1.3 |
0.236 |
1 |
0 |
0 |
0.000 |
11 |
22 |
|
[NAG]C:501 |
9 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
9 |
2 |
13166 |
85.9 |
2.4 |
0.408 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]D:501 |
10 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
8 |
2 |
13308 |
83.7 |
2.6 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
84.8 |
2.5 |
0.389 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
[NAG]A:501 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
9 |
2 |
13743 |
85.7 |
2.7 |
0.327 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:501 |
9 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
13852 |
85.0 |
3.0 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
85.4 |
2.8 |
0.383 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
[NAG]C:501 |
4 |
1 |
360 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
13 |
4 |
13308 |
73.1 |
2.5 |
0.704 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[NAG]C:502 |
10 |
1 |
363 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
360 |
69.8 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]D:502 |
10 |
1 |
363 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
6 |
1 |
357 |
69.3 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:502 |
9 |
1 |
364 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
7 |
1 |
359 |
68.6 |
1.6 |
0.086 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]A:502 |
10 |
1 |
361 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
359 |
67.6 |
1.5 |
0.075 |
0 |
0 |
0 |
0.000 |
Average: |
68.8 |
1.6 |
0.081 |
0 |
0 |
0 |
0.000 |
15 |
31 |
|
[FUL]C:504 |
7 |
1 |
278 |
f |
[NAG]C:502 |
x,y,z |
1_555 |
7 |
1 |
363 |
68.5 |
3.0 |
0.187 |
0 |
0 |
0 |
0.000 |
32 |
|
[FUL]B:504 |
7 |
1 |
280 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
7 |
1 |
364 |
62.1 |
2.6 |
0.176 |
0 |
0 |
0 |
0.000 |
33 |
|
[FUL]A:504 |
7 |
1 |
279 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
7 |
1 |
361 |
60.9 |
2.7 |
0.194 |
0 |
0 |
0 |
0.000 |
Average: |
63.8 |
2.8 |
0.186 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
C |
9 |
6 |
13166 |
◊ |
[NAG]D:501 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
5 |
1 |
357 |
67.4 |
2.8 |
0.650 |
1 |
0 |
0 |
0.000 |
17 |
35 |
|
B |
8 |
5 |
13852 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
6 |
6 |
13743 |
66.8 |
-0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
4 |
4 |
13166 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13743 |
48.7 |
-0.7 |
0.309 |
0 |
0 |
0 |
0.000 |
Average: |
57.7 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
[FUL]A:504 |
7 |
1 |
279 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
8 |
1 |
359 |
64.1 |
2.0 |
0.126 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUL]B:504 |
8 |
1 |
280 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
8 |
1 |
359 |
63.6 |
1.9 |
0.109 |
0 |
0 |
0 |
0.000 |
Average: |
63.8 |
1.9 |
0.118 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
[FUL]D:504 |
6 |
1 |
278 |
f |
[NAG]D:502 |
x,y,z |
1_555 |
7 |
1 |
363 |
63.1 |
2.7 |
0.188 |
1 |
0 |
0 |
0.000 |
20 |
40 |
|
[FUL]D:504 |
6 |
1 |
278 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
8 |
1 |
357 |
62.2 |
1.9 |
0.122 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
[FUL]C:504 |
7 |
1 |
278 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
8 |
1 |
360 |
61.5 |
1.9 |
0.127 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[FUC]D:503 |
7 |
1 |
281 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
5 |
1 |
357 |
58.0 |
2.2 |
0.189 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[FUC]A:503 |
6 |
1 |
279 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
4 |
1 |
359 |
56.6 |
2.3 |
0.231 |
0 |
0 |
0 |
0.000 |
44 |
|
[FUC]B:503 |
6 |
1 |
278 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
4 |
1 |
359 |
55.5 |
2.1 |
0.219 |
0 |
0 |
0 |
0.000 |
Average: |
56.0 |
2.2 |
0.225 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
[FUC]C:503 |
6 |
1 |
276 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
4 |
1 |
360 |
55.1 |
2.0 |
0.227 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[CA]D:506 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
13308 |
43.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[CA]B:507 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
7 |
13852 |
43.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[CA]A:507 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
13743 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[CA]C:506 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
13166 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[FUC]C:503 |
2 |
1 |
276 |
f |
[NAG]C:502 |
x,y,z |
1_555 |
8 |
1 |
363 |
38.0 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
[NAG]A:502 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13743 |
37.0 |
0.8 |
0.321 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAG]B:502 |
3 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13852 |
34.6 |
1.2 |
0.571 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
1.0 |
0.446 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
[FUC]D:503 |
2 |
1 |
281 |
f |
[NAG]D:502 |
x,y,z |
1_555 |
7 |
1 |
363 |
36.9 |
1.9 |
0.279 |
0 |
0 |
0 |
0.000 |
54 |
|
[FUC]A:503 |
2 |
1 |
279 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
7 |
1 |
361 |
35.8 |
1.8 |
0.276 |
0 |
0 |
0 |
0.000 |
55 |
|
[FUC]B:503 |
2 |
1 |
278 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
364 |
33.4 |
1.7 |
0.309 |
0 |
0 |
0 |
0.000 |
Average: |
35.4 |
1.8 |
0.288 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
[NAG]D:502 |
3 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
13308 |
34.6 |
0.7 |
0.348 |
0 |
0 |
0 |
0.000 |
57 |
|
[NAG]C:502 |
3 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
13166 |
29.8 |
0.7 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
32.2 |
0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
30 |
58 |
|
[NAG]C:502 |
6 |
1 |
363 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
7 |
2 |
13308 |
31.2 |
0.9 |
0.256 |
0 |
0 |
0 |
0.000 |
31 |
59 |
|
[NAG]B:502 |
2 |
1 |
364 |
◊ |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
4 |
1 |
13308 |
27.3 |
0.4 |
0.394 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]A:502 |
2 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13852 |
25.0 |
0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
Average: |
26.1 |
0.4 |
0.387 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[NAG]A:501 |
1 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13166 |
18.8 |
0.3 |
0.304 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]B:501 |
1 |
1 |
359 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
1 |
1 |
13743 |
18.7 |
0.3 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
18.8 |
0.3 |
0.300 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
[FUL]A:504 |
3 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13852 |
16.5 |
0.4 |
0.520 |
0 |
0 |
0 |
0.000 |
34 |
64 |
|
[FUL]B:504 |
1 |
1 |
280 |
◊ |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
1 |
1 |
13308 |
10.6 |
0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
35 |
65 |
|
[FUL]C:504 |
1 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
13166 |
5.1 |
0.2 |
0.486 |
0 |
0 |
0 |
0.000 |
36 |
66 |
|
C |
2 |
2 |
13166 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
2 |
13308 |
4.7 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
37 |
67 |
|
[FUL]B:504 |
1 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13852 |
4.3 |
0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
68 |
|
[FUL]A:504 |
1 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13743 |
4.0 |
0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
38 |
69 |
|
[NAG]A:501 |
1 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13852 |
3.2 |
0.1 |
0.329 |
0 |
0 |
0 |
0.000 |
39 |
70 |
|
C |
1 |
1 |
13166 |
◊ |
[NAG]D:502 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
363 |
2.5 |
0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
40 |
71 |
|
[FUL]D:504 |
1 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13308 |
2.2 |
0.1 |
0.382 |
0 |
0 |
0 |
0.000 |
|