## |
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 |
|
E |
148 |
39 |
17154 |
◊ |
D |
x,y,z |
1_555 |
146 |
40 |
17606 |
1254.8 |
-7.0 |
0.346 |
12 |
0 |
0 |
0.000 |
2 |
|
F |
147 |
40 |
17506 |
◊ |
A |
x,y,z |
1_555 |
145 |
38 |
17144 |
1250.2 |
-4.3 |
0.466 |
12 |
0 |
0 |
0.000 |
3 |
|
C |
143 |
39 |
17220 |
◊ |
B |
x,y,z |
1_555 |
147 |
39 |
17136 |
1244.7 |
-9.5 |
0.201 |
12 |
0 |
0 |
0.000 |
Average: |
1249.9 |
-6.9 |
0.338 |
12 |
0 |
0 |
0.000 |
2 |
4 |
|
B |
66 |
16 |
17136 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
17144 |
683.8 |
-7.7 |
0.103 |
11 |
0 |
0 |
0.000 |
5 |
|
F |
65 |
16 |
17506 |
◊ |
E |
x,y,z |
1_555 |
68 |
20 |
17154 |
658.9 |
-7.2 |
0.117 |
11 |
1 |
0 |
0.000 |
6 |
|
D |
61 |
17 |
17606 |
◊ |
C |
x,y,z |
1_555 |
68 |
20 |
17220 |
614.7 |
-7.2 |
0.106 |
9 |
4 |
0 |
0.000 |
Average: |
652.5 |
-7.4 |
0.109 |
10 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
42 |
14 |
17606 |
◊ |
A |
x,y-1,z |
1_545 |
60 |
20 |
17144 |
502.1 |
4.2 |
0.912 |
11 |
1 |
0 |
0.000 |
8 |
|
C |
54 |
20 |
17220 |
◊ |
F |
x-1,y-1,z |
1_445 |
41 |
14 |
17506 |
484.4 |
3.9 |
0.861 |
9 |
4 |
0 |
0.000 |
Average: |
493.3 |
4.0 |
0.887 |
10 |
3 |
0 |
0.000 |
4 |
9 |
|
B |
49 |
18 |
17136 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
50 |
19 |
17220 |
467.8 |
-0.1 |
0.517 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
43 |
15 |
17606 |
◊ |
E |
-y+1,x-y-1,z+1/3 |
2_645 |
61 |
21 |
17154 |
432.4 |
2.5 |
0.769 |
4 |
0 |
0 |
0.000 |
6 |
11 |
|
F |
43 |
13 |
17506 |
◊ |
A |
-y+2,x-y,z+1/3 |
2_755 |
45 |
16 |
17144 |
395.9 |
-2.0 |
0.361 |
6 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
40 |
14 |
17136 |
◊ |
E |
-y+1,x-y-1,z+1/3 |
2_645 |
42 |
15 |
17154 |
354.5 |
-3.0 |
0.317 |
4 |
0 |
0 |
0.000 |
8 |
13 |
|
[NAG]B:501 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
21 |
9 |
17136 |
160.2 |
4.9 |
0.515 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:501 |
11 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
18 |
9 |
17220 |
146.6 |
4.7 |
0.546 |
1 |
0 |
0 |
0.000 |
Average: |
153.4 |
4.8 |
0.530 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[NAG]D:501 |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
18 |
9 |
17606 |
157.6 |
4.4 |
0.410 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]F:501 |
11 |
1 |
362 |
cf |
F |
x,y,z |
1_555 |
17 |
9 |
17506 |
152.1 |
4.7 |
0.521 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]A:501 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
19 |
9 |
17144 |
131.5 |
2.6 |
0.344 |
0 |
0 |
0 |
0.000 |
Average: |
147.1 |
3.9 |
0.425 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
17606 |
123.6 |
3.3 |
0.423 |
3 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]E:501 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
17154 |
120.2 |
3.1 |
0.411 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[EDO]F:506 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
23 |
9 |
17506 |
118.5 |
3.1 |
0.421 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
17136 |
118.5 |
3.1 |
0.425 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
[EDO]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
17220 |
117.9 |
3.0 |
0.416 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:509 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17144 |
117.2 |
3.2 |
0.414 |
1 |
0 |
0 |
0.000 |
Average: |
117.5 |
3.1 |
0.415 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
17136 |
117.0 |
4.2 |
0.672 |
2 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]F:508 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
22 |
10 |
17506 |
115.7 |
3.8 |
0.603 |
3 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]D:505 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
17606 |
115.4 |
4.1 |
0.668 |
4 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]C:506 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
17220 |
111.3 |
3.7 |
0.599 |
5 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]A:507 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
17144 |
110.1 |
4.0 |
0.480 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]C:505 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
17220 |
108.9 |
4.0 |
0.476 |
2 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]D:502 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
17606 |
108.8 |
4.0 |
0.487 |
3 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]B:506 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17136 |
108.8 |
4.0 |
0.496 |
3 |
0 |
0 |
0.000 |
32 |
|
[EDO]F:503 |
4 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
17506 |
108.2 |
4.0 |
0.483 |
2 |
0 |
0 |
0.000 |
Average: |
108.5 |
4.0 |
0.489 |
3 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]D:509 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17606 |
105.4 |
3.0 |
0.467 |
2 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]C:504 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17220 |
104.9 |
2.2 |
0.358 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]D:506 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
17606 |
102.6 |
3.5 |
0.503 |
5 |
0 |
0 |
0.000 |
26 |
36 |
|
B |
16 |
3 |
17136 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
2 |
17506 |
102.4 |
-0.1 |
0.579 |
1 |
1 |
0 |
0.000 |
27 |
37 |
|
[EDO]B:504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
17136 |
101.4 |
2.5 |
0.401 |
2 |
0 |
0 |
0.000 |
28 |
38 |
|
[EDO]F:504 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
17506 |
96.5 |
2.8 |
0.322 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[EDO]A:508 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17144 |
94.5 |
2.4 |
0.405 |
2 |
0 |
0 |
0.000 |
30 |
40 |
|
[EDO]F:505 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
17506 |
92.2 |
3.3 |
0.496 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[EDO]D:503 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
17154 |
91.3 |
2.4 |
0.444 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[EDO]D:507 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
17606 |
85.6 |
2.7 |
0.315 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
D |
16 |
6 |
17606 |
◊ |
[EDO]A:506 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
85.0 |
2.6 |
0.503 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[EDO]C:502 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
17136 |
84.9 |
2.4 |
0.450 |
1 |
0 |
0 |
0.000 |
35 |
45 |
|
[EDO]F:507 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
17144 |
83.9 |
2.2 |
0.258 |
1 |
0 |
0 |
0.000 |
36 |
46 |
|
[EDO]D:510 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
17606 |
82.8 |
1.7 |
0.215 |
1 |
0 |
0 |
0.000 |
37 |
47 |
|
[EDO]D:508 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
17606 |
80.7 |
2.0 |
0.236 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
17506 |
79.5 |
2.0 |
0.252 |
1 |
0 |
0 |
0.000 |
39 |
49 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17220 |
79.0 |
1.7 |
0.232 |
1 |
0 |
0 |
0.000 |
40 |
50 |
|
[EDO]B:502 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
17136 |
76.8 |
2.3 |
0.272 |
1 |
0 |
0 |
0.000 |
41 |
51 |
|
[EDO]A:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17144 |
74.3 |
2.0 |
0.270 |
1 |
0 |
0 |
0.000 |
42 |
52 |
|
[EDO]F:507 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
17506 |
73.3 |
1.7 |
0.257 |
1 |
0 |
0 |
0.000 |
43 |
53 |
|
[EDO]D:507 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
17154 |
72.2 |
2.3 |
0.862 |
2 |
0 |
0 |
0.000 |
44 |
54 |
|
[EDO]D:508 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
17220 |
72.2 |
2.3 |
0.283 |
2 |
0 |
0 |
0.000 |
45 |
55 |
|
[EDO]C:502 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
17220 |
69.7 |
1.5 |
0.728 |
1 |
0 |
0 |
0.000 |
46 |
56 |
|
[FUC]A:503 |
7 |
1 |
281 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
358 |
69.2 |
2.5 |
0.151 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17144 |
68.3 |
1.2 |
0.757 |
4 |
0 |
0 |
0.000 |
48 |
58 |
|
[EDO]A:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17144 |
67.8 |
1.9 |
0.259 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17606 |
66.5 |
1.6 |
0.259 |
1 |
0 |
0 |
0.000 |
50 |
60 |
|
[NAG]A:502 |
7 |
1 |
360 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
358 |
66.3 |
1.7 |
0.133 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
[FUC]A:503 |
6 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17144 |
63.0 |
0.1 |
0.218 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[FUC]A:503 |
6 |
1 |
281 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
8 |
1 |
360 |
62.9 |
2.7 |
0.169 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[NAG]F:502 |
8 |
1 |
364 |
cf |
[NAG]F:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
62.7 |
1.1 |
0.087 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
D |
9 |
4 |
17606 |
◊ |
[EDO]A:505 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
56.7 |
1.3 |
0.214 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
C |
9 |
5 |
17220 |
◊ |
A |
x-1,y-1,z |
1_445 |
8 |
2 |
17144 |
44.9 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
C |
4 |
2 |
17220 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
3 |
17154 |
42.2 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[EDO]A:509 |
2 |
1 |
184 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
3 |
1 |
181 |
30.8 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
F |
1 |
1 |
17506 |
◊ |
[FUC]A:503 |
-y+2,x-y,z+1/3 |
2_755 |
1 |
1 |
281 |
16.9 |
-0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
59 |
69 |
|
E |
2 |
1 |
17154 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
17144 |
13.3 |
0.3 |
0.807 |
0 |
0 |
0 |
0.000 |
60 |
70 |
|
D |
1 |
1 |
17606 |
◊ |
A |
-y+2,x-y,z+1/3 |
2_755 |
2 |
1 |
17144 |
6.7 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
61 |
71 |
|
[EDO]F:505 |
1 |
1 |
184 |
f |
[EDO]F:504 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
72 |
|
[NAG]F:502 |
1 |
1 |
364 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
17506 |
3.4 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[EDO]B:504 |
1 |
1 |
185 |
f |
C |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
17220 |
2.0 |
0.1 |
0.841 |
0 |
0 |
0 |
0.000 |
|