## |
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 |
|
Z |
86 |
26 |
9368 |
◊ |
C |
x,y,z |
1_555 |
85 |
24 |
7505 |
832.6 |
-9.1 |
0.375 |
9 |
0 |
0 |
1.000 |
2 |
|
Y |
80 |
25 |
9334 |
◊ |
B |
x,y,z |
1_555 |
83 |
24 |
7448 |
827.0 |
-9.2 |
0.302 |
9 |
0 |
0 |
1.000 |
3 |
|
X |
79 |
26 |
9297 |
◊ |
A |
x,y,z |
1_555 |
79 |
22 |
7510 |
807.8 |
-8.2 |
0.296 |
12 |
0 |
0 |
1.000 |
Average: |
822.5 |
-8.8 |
0.324 |
10 |
0 |
0 |
1.000 |
2 |
4 |
|
Z |
77 |
25 |
9368 |
◊ |
X |
x,-y,-z |
4_555 |
78 |
25 |
9297 |
804.0 |
-0.1 |
0.858 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
Y |
79 |
26 |
9334 |
◊ |
Y |
x,-y,-z |
4_555 |
79 |
26 |
9334 |
792.6 |
-0.1 |
0.911 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
78 |
25 |
7505 |
◊ |
B |
x,y,z |
1_555 |
73 |
23 |
7448 |
660.9 |
-5.5 |
0.418 |
7 |
3 |
0 |
0.724 |
7 |
|
B |
74 |
23 |
7448 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
7510 |
605.9 |
-6.7 |
0.305 |
8 |
2 |
0 |
0.724 |
8 |
|
C |
73 |
22 |
7505 |
◊ |
A |
x,y,z |
1_555 |
74 |
26 |
7510 |
596.5 |
-7.5 |
0.333 |
5 |
0 |
0 |
0.724 |
Average: |
621.1 |
-6.6 |
0.352 |
7 |
2 |
0 |
0.724 |
5 |
9 |
|
Z |
49 |
20 |
9368 |
◊ |
Y |
-x,-y,z-1/2 |
2_554 |
44 |
14 |
9334 |
444.8 |
-4.4 |
0.506 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
Z |
41 |
10 |
9368 |
◊ |
X |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
37 |
14 |
9297 |
397.9 |
-5.9 |
0.301 |
5 |
0 |
0 |
0.040 |
7 |
11 |
|
Z |
39 |
9 |
9368 |
◊ |
A |
x,-y,-z |
4_555 |
34 |
12 |
7510 |
315.5 |
-0.7 |
0.716 |
3 |
4 |
0 |
0.000 |
12 |
|
Y |
29 |
8 |
9334 |
◊ |
B |
x,-y,-z |
4_555 |
34 |
11 |
7448 |
306.1 |
-0.6 |
0.617 |
3 |
4 |
0 |
0.000 |
13 |
|
X |
32 |
9 |
9297 |
◊ |
C |
x,-y,-z |
4_555 |
31 |
13 |
7505 |
302.0 |
-2.1 |
0.503 |
2 |
4 |
0 |
0.000 |
Average: |
307.8 |
-1.1 |
0.612 |
3 |
4 |
0 |
0.000 |
8 |
14 |
|
B |
34 |
9 |
7448 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
34 |
9 |
7448 |
273.8 |
-3.0 |
0.391 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
Y |
25 |
8 |
9334 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
26 |
10 |
7505 |
231.4 |
-3.7 |
0.343 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
25 |
8 |
7448 |
◊ |
X |
x-1/2,-y+1/2,-z |
8_455 |
15 |
4 |
9297 |
171.9 |
-0.7 |
0.609 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
X |
21 |
8 |
9297 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
7505 |
137.9 |
-1.6 |
0.284 |
3 |
0 |
0 |
0.097 |
18 |
|
Y |
18 |
8 |
9334 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
7510 |
113.7 |
-1.5 |
0.465 |
0 |
0 |
0 |
0.097 |
19 |
|
Z |
17 |
7 |
9368 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
7448 |
111.9 |
1.7 |
0.870 |
4 |
2 |
0 |
0.097 |
Average: |
121.2 |
-0.5 |
0.540 |
2 |
1 |
0 |
0.097 |
12 |
20 |
|
Z |
18 |
7 |
9368 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
15 |
4 |
7448 |
118.5 |
-1.1 |
0.562 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[GOL]Z:206 |
6 |
1 |
221 |
f |
Z |
x,y,z |
1_555 |
19 |
9 |
9368 |
116.2 |
0.7 |
0.719 |
6 |
0 |
0 |
0.372 |
14 |
22 |
|
[NAG]Y:201 |
10 |
1 |
359 |
cf |
Y |
x,y,z |
1_555 |
16 |
6 |
9334 |
110.8 |
2.5 |
0.392 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[NAG]Z:201 |
10 |
1 |
364 |
cf |
Z |
x,y,z |
1_555 |
14 |
6 |
9368 |
105.1 |
2.2 |
0.392 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]X:201 |
9 |
1 |
359 |
cf |
X |
x,y,z |
1_555 |
11 |
5 |
9297 |
104.5 |
2.2 |
0.347 |
0 |
0 |
0 |
0.000 |
Average: |
104.8 |
2.2 |
0.370 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
Y |
13 |
6 |
9334 |
◊ |
X |
x-1/2,-y+1/2,-z |
8_455 |
10 |
5 |
9297 |
97.1 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[ACT]X:205 |
4 |
1 |
184 |
f |
X |
x,y,z |
1_555 |
13 |
6 |
9297 |
96.3 |
-0.1 |
0.723 |
2 |
0 |
0 |
0.144 |
18 |
27 |
|
[GOL]B:301 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
7448 |
95.6 |
0.5 |
0.660 |
2 |
0 |
0 |
0.010 |
19 |
28 |
|
[GOL]Z:205 |
6 |
1 |
216 |
◊ |
Z |
x,y,z |
1_555 |
10 |
3 |
9368 |
85.9 |
0.8 |
0.717 |
2 |
0 |
0 |
0.024 |
20 |
29 |
|
[GOL]B:301 |
4 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
7510 |
81.6 |
-0.1 |
0.576 |
3 |
0 |
0 |
0.206 |
21 |
30 |
|
[ACT]A:302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7510 |
79.1 |
-0.6 |
0.642 |
2 |
0 |
0 |
0.207 |
22 |
31 |
|
[FUC]Z:204 |
5 |
1 |
284 |
f |
Z |
x,y,z |
1_555 |
12 |
7 |
9368 |
78.6 |
1.4 |
0.478 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[ACT]Y:205 |
4 |
1 |
182 |
◊ |
Y |
x,y,z |
1_555 |
14 |
6 |
9334 |
77.6 |
0.3 |
0.812 |
1 |
0 |
0 |
0.003 |
24 |
33 |
|
[FUC]X:202 |
6 |
1 |
279 |
cf |
[NAG]X:201 |
x,y,z |
1_555 |
8 |
1 |
359 |
76.6 |
3.1 |
0.166 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[ACT]A:301 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7510 |
72.7 |
-0.6 |
0.662 |
2 |
0 |
0 |
0.206 |
26 |
35 |
|
[ACT]A:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
7505 |
72.3 |
-0.5 |
0.698 |
1 |
0 |
0 |
0.024 |
27 |
36 |
|
[ACT]C:302 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7505 |
70.6 |
-0.6 |
0.600 |
3 |
0 |
0 |
0.376 |
28 |
37 |
|
[FUC]Y:202 |
7 |
1 |
281 |
cf |
[NAG]Y:201 |
x,y,z |
1_555 |
7 |
1 |
359 |
68.9 |
2.6 |
0.152 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[NAG]Z:201 |
5 |
1 |
364 |
◊ |
A |
x,-y,-z |
4_555 |
11 |
4 |
7510 |
68.7 |
2.7 |
0.648 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]Y:201 |
3 |
1 |
359 |
◊ |
B |
x,-y,-z |
4_555 |
9 |
3 |
7448 |
49.9 |
2.4 |
0.728 |
0 |
0 |
0 |
0.000 |
Average: |
59.3 |
2.5 |
0.688 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[NAG]Y:204 |
9 |
1 |
363 |
cf |
[NAG]Y:201 |
x,y,z |
1_555 |
6 |
1 |
359 |
67.5 |
1.3 |
0.086 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
[FUC]Z:202 |
7 |
1 |
282 |
cf |
[NAG]Z:201 |
x,y,z |
1_555 |
8 |
1 |
364 |
66.3 |
2.1 |
0.120 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[GOL]C:301 |
5 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
7448 |
64.3 |
-0.9 |
0.475 |
0 |
0 |
0 |
0.021 |
33 |
43 |
|
[FUC]Y:203 |
7 |
1 |
279 |
f |
Y |
x,y,z |
1_555 |
11 |
4 |
9334 |
63.8 |
0.5 |
0.244 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[ACT]C:302 |
4 |
1 |
183 |
◊ |
X |
x,-y,-z |
4_555 |
10 |
3 |
9297 |
60.1 |
-0.9 |
0.584 |
1 |
0 |
0 |
0.000 |
35 |
45 |
|
[NAG]Z:203 |
8 |
1 |
359 |
cf |
[NAG]Z:201 |
x,y,z |
1_555 |
6 |
1 |
364 |
60.0 |
1.3 |
0.095 |
1 |
0 |
0 |
0.000 |
36 |
46 |
|
[NAG]X:203 |
8 |
1 |
360 |
cf |
[NAG]X:201 |
x,y,z |
1_555 |
7 |
1 |
359 |
59.7 |
1.0 |
0.056 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[GOL]C:301 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7510 |
59.4 |
-0.2 |
0.590 |
2 |
0 |
0 |
0.156 |
38 |
48 |
|
[GOL]C:301 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7505 |
57.9 |
-0.5 |
0.577 |
0 |
0 |
0 |
0.012 |
39 |
49 |
|
[FUC]Y:203 |
5 |
1 |
279 |
f |
[NAG]Y:204 |
x,y,z |
1_555 |
8 |
1 |
363 |
57.0 |
2.6 |
0.182 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[FUC]Z:202 |
6 |
1 |
282 |
f |
[NAG]Z:203 |
x,y,z |
1_555 |
9 |
1 |
359 |
57.0 |
1.4 |
0.098 |
1 |
0 |
0 |
0.000 |
41 |
51 |
|
[FUC]X:204 |
5 |
1 |
280 |
cf |
[NAG]X:201 |
x,y,z |
1_555 |
5 |
1 |
359 |
55.8 |
2.3 |
0.252 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
[FUC]Y:203 |
5 |
1 |
279 |
cf |
[NAG]Y:201 |
x,y,z |
1_555 |
5 |
1 |
359 |
55.5 |
2.7 |
0.284 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[FUC]Z:204 |
6 |
1 |
284 |
cf |
[NAG]Z:201 |
x,y,z |
1_555 |
4 |
1 |
364 |
55.1 |
2.5 |
0.246 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[FUC]Y:203 |
4 |
1 |
279 |
◊ |
B |
x,-y,-z |
4_555 |
6 |
1 |
7448 |
54.1 |
1.2 |
0.345 |
3 |
0 |
0 |
0.000 |
45 |
55 |
|
[FUC]X:204 |
5 |
1 |
280 |
f |
X |
x,y,z |
1_555 |
10 |
6 |
9297 |
53.6 |
0.6 |
0.367 |
0 |
0 |
0 |
0.000 |
46 |
56 |
|
[GOL]Z:205 |
4 |
1 |
216 |
◊ |
X |
x,-y,-z |
4_555 |
6 |
3 |
9297 |
52.8 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[FUC]X:202 |
5 |
1 |
279 |
f |
[NAG]X:203 |
x,y,z |
1_555 |
6 |
1 |
360 |
52.3 |
1.7 |
0.171 |
0 |
0 |
0 |
0.000 |
48 |
58 |
|
[FUC]Y:202 |
6 |
1 |
281 |
f |
[NAG]Y:204 |
x,y,z |
1_555 |
6 |
1 |
363 |
52.0 |
2.2 |
0.165 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
[NAG]X:201 |
3 |
1 |
359 |
◊ |
C |
x,-y,-z |
4_555 |
11 |
3 |
7505 |
49.5 |
2.4 |
0.740 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
[ACT]A:301 |
3 |
1 |
182 |
◊ |
Z |
x,-y,-z |
4_555 |
10 |
3 |
9368 |
48.4 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
[ACT]A:301 |
3 |
1 |
182 |
◊ |
X |
x,y,z |
1_555 |
7 |
2 |
9297 |
44.7 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.056 |
52 |
62 |
|
[FUC]X:202 |
3 |
1 |
279 |
◊ |
C |
x,-y,-z |
4_555 |
5 |
2 |
7505 |
43.5 |
2.3 |
0.751 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[ACT]Y:205 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
7448 |
41.8 |
-0.6 |
0.600 |
0 |
0 |
0 |
0.100 |
54 |
64 |
|
[FUC]Z:202 |
3 |
1 |
282 |
◊ |
A |
x,-y,-z |
4_555 |
5 |
2 |
7510 |
41.2 |
1.7 |
0.709 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
[FUC]X:204 |
4 |
1 |
280 |
f |
[NAG]X:203 |
x,y,z |
1_555 |
6 |
1 |
360 |
39.7 |
1.9 |
0.264 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
[FUC]Z:204 |
4 |
1 |
284 |
f |
[NAG]Z:203 |
x,y,z |
1_555 |
6 |
1 |
359 |
39.6 |
1.8 |
0.255 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[GOL]Z:206 |
4 |
1 |
221 |
◊ |
Y |
-x,-y,z-1/2 |
2_554 |
7 |
2 |
9334 |
37.8 |
-0.4 |
0.527 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
[FUC]Z:204 |
4 |
1 |
284 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
1 |
7510 |
36.7 |
1.1 |
0.427 |
1 |
0 |
0 |
0.000 |
59 |
69 |
|
[GOL]Z:205 |
3 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
7505 |
34.7 |
0.6 |
0.764 |
2 |
0 |
0 |
0.062 |
60 |
70 |
|
[ACT]C:302 |
3 |
1 |
183 |
◊ |
Z |
x,y,z |
1_555 |
5 |
2 |
9368 |
33.3 |
0.5 |
0.767 |
1 |
0 |
0 |
0.000 |
61 |
71 |
|
[FUC]Y:202 |
3 |
1 |
281 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
7448 |
24.6 |
1.2 |
0.541 |
1 |
0 |
0 |
0.000 |
62 |
72 |
|
[ACT]X:205 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7510 |
22.5 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[NAG]Y:204 |
1 |
1 |
363 |
f |
Y |
x,y,z |
1_555 |
6 |
3 |
9334 |
21.4 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
[ACT]X:205 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
7505 |
20.9 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.008 |
65 |
75 |
|
[NAG]Z:203 |
2 |
1 |
359 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
7510 |
15.9 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[FUC]Z:202 |
1 |
1 |
282 |
◊ |
Z |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
9368 |
15.4 |
-0.1 |
0.198 |
0 |
0 |
0 |
0.000 |
67 |
77 |
|
[FUC]X:204 |
3 |
1 |
280 |
◊ |
C |
x,-y,-z |
4_555 |
1 |
1 |
7505 |
14.4 |
-0.0 |
0.202 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
[NAG]Y:204 |
1 |
1 |
363 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
7448 |
12.1 |
-0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
69 |
79 |
|
[FUC]X:202 |
2 |
1 |
279 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
9297 |
8.5 |
0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[FUC]Y:202 |
2 |
1 |
281 |
f |
Y |
x,y,z |
1_555 |
1 |
1 |
9334 |
7.6 |
0.3 |
0.472 |
0 |
0 |
0 |
0.000 |
71 |
81 |
|
[NAG]Z:203 |
1 |
1 |
359 |
f |
Z |
x,y,z |
1_555 |
3 |
2 |
9368 |
6.6 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
[FUC]Z:202 |
1 |
1 |
282 |
f |
Z |
x,y,z |
1_555 |
1 |
1 |
9368 |
6.1 |
0.3 |
0.395 |
0 |
0 |
0 |
0.000 |
73 |
83 |
|
[GOL]Z:205 |
1 |
1 |
216 |
f |
[ACT]C:302 |
x,y,z |
1_555 |
2 |
1 |
183 |
4.3 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.008 |
74 |
84 |
|
[NAG]X:203 |
1 |
1 |
360 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
9297 |
0.6 |
0.0 |
0.282 |
0 |
0 |
0 |
0.000 |
75 |
85 |
|
[FUC]X:204 |
1 |
1 |
280 |
f |
[FUC]X:202 |
x,y,z |
1_555 |
1 |
1 |
279 |
0.3 |
0.0 |
0.200 |
0 |
0 |
0 |
0.000 |
|