## |
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 |
84 |
22 |
22130 |
◊ |
B |
x-1,y,z |
1_455 |
84 |
20 |
22152 |
697.2 |
-1.6 |
0.650 |
1 |
3 |
0 |
0.000 |
2 |
|
C |
84 |
22 |
22181 |
◊ |
D |
x-1,y-1,z |
1_445 |
80 |
21 |
22204 |
690.7 |
-3.7 |
0.673 |
0 |
10 |
0 |
0.000 |
3 |
|
B |
79 |
23 |
22152 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
22130 |
686.1 |
-6.4 |
0.489 |
0 |
7 |
0 |
0.000 |
4 |
|
C |
82 |
23 |
22181 |
◊ |
D |
x,y-1,z |
1_545 |
81 |
22 |
22204 |
683.6 |
-3.7 |
0.698 |
0 |
7 |
0 |
0.000 |
Average: |
689.4 |
-3.9 |
0.627 |
0 |
7 |
0 |
0.000 |
2 |
5 |
|
C |
65 |
25 |
22181 |
◊ |
A |
x,y,z |
1_555 |
57 |
22 |
22130 |
585.4 |
-12.4 |
0.026 |
2 |
0 |
0 |
0.068 |
6 |
|
D |
49 |
19 |
22204 |
◊ |
B |
x,y,z |
1_555 |
45 |
18 |
22152 |
506.1 |
-14.3 |
0.004 |
0 |
0 |
0 |
0.068 |
Average: |
545.7 |
-13.3 |
0.015 |
1 |
0 |
0 |
0.068 |
3 |
7 |
|
C |
49 |
19 |
22181 |
◊ |
A |
x,y-1,z |
1_545 |
40 |
15 |
22130 |
404.2 |
-7.4 |
0.168 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
42 |
15 |
22152 |
◊ |
D |
x,y-1,z |
1_545 |
39 |
16 |
22204 |
389.1 |
-5.2 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
396.7 |
-6.3 |
0.238 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
[6E0]A:714 |
22 |
1 |
669 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
22130 |
277.7 |
-8.9 |
0.203 |
0 |
0 |
0 |
0.042 |
5 |
10 |
|
[6E0]D:711 |
21 |
1 |
670 |
f |
D |
x,y,z |
1_555 |
38 |
14 |
22204 |
272.0 |
-8.2 |
0.399 |
0 |
0 |
0 |
0.039 |
6 |
11 |
|
[6E0]A:714 |
15 |
1 |
669 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
22181 |
193.7 |
-5.6 |
0.352 |
0 |
0 |
0 |
0.026 |
12 |
|
[6E0]D:711 |
15 |
1 |
670 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
22152 |
159.2 |
-3.2 |
0.402 |
0 |
0 |
0 |
0.026 |
Average: |
176.4 |
-4.4 |
0.377 |
0 |
0 |
0 |
0.026 |
7 |
13 |
|
[NAG]C:703 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
20 |
9 |
22181 |
165.1 |
4.7 |
0.607 |
3 |
0 |
0 |
0.000 |
14 |
|
[NAG]D:704 |
12 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
19 |
9 |
22204 |
150.1 |
4.5 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
157.6 |
4.6 |
0.563 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
[NAG]A:703 |
14 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
19 |
9 |
22130 |
163.3 |
4.6 |
0.466 |
2 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:703 |
12 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
19 |
9 |
22152 |
161.9 |
4.5 |
0.522 |
1 |
0 |
0 |
0.000 |
Average: |
162.6 |
4.5 |
0.494 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
[NAG]D:707 |
12 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
19 |
10 |
22204 |
124.6 |
3.7 |
0.460 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
6 |
3 |
22204 |
◊ |
A |
-y,x+1,z+1/4 |
3_565 |
7 |
4 |
22130 |
115.2 |
-3.7 |
0.016 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[NAG]B:705 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
19 |
9 |
22152 |
110.6 |
3.2 |
0.378 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
8 |
5 |
22152 |
◊ |
C |
-y,x+1,z+1/4 |
3_565 |
9 |
4 |
22181 |
110.0 |
-3.1 |
0.065 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[FUC]A:706 |
7 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22130 |
104.0 |
1.1 |
0.325 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[NAG]A:707 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
13 |
6 |
22130 |
103.3 |
2.7 |
0.301 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[FUC]D:706 |
7 |
1 |
282 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
22204 |
97.2 |
1.9 |
0.424 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[PO4]A:709 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
22130 |
95.8 |
-8.3 |
0.228 |
3 |
0 |
0 |
0.045 |
17 |
25 |
|
[PO4]A:710 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
22130 |
93.6 |
-6.1 |
0.847 |
1 |
0 |
0 |
0.031 |
18 |
26 |
|
[PO4]A:711 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
22130 |
92.7 |
-6.9 |
0.594 |
2 |
0 |
0 |
0.037 |
19 |
27 |
|
[NAG]C:705 |
12 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
22181 |
92.5 |
2.8 |
0.341 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[PO4]B:706 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22152 |
92.3 |
-8.5 |
0.272 |
2 |
0 |
0 |
0.045 |
21 |
29 |
|
[PO4]C:706 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
22181 |
91.4 |
-7.5 |
0.372 |
4 |
0 |
0 |
0.043 |
22 |
30 |
|
[PO4]D:709 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
22204 |
88.0 |
-6.3 |
0.755 |
4 |
0 |
0 |
0.038 |
23 |
31 |
|
[FUC]A:706 |
7 |
1 |
283 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
8 |
1 |
362 |
81.6 |
3.0 |
0.151 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[NAG]D:708 |
10 |
1 |
362 |
cf |
[NAG]D:707 |
x,y,z |
1_555 |
7 |
1 |
361 |
79.9 |
1.9 |
0.085 |
1 |
0 |
0 |
0.000 |
25 |
33 |
|
[CL]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22152 |
74.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.054 |
26 |
34 |
|
[NAG]D:705 |
10 |
1 |
364 |
cf |
[NAG]D:704 |
x,y,z |
1_555 |
7 |
1 |
354 |
74.3 |
1.8 |
0.085 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[NAG]C:704 |
8 |
1 |
360 |
cf |
[NAG]C:703 |
x,y,z |
1_555 |
7 |
1 |
360 |
73.8 |
1.7 |
0.096 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[NAG]A:705 |
10 |
1 |
358 |
cf |
[NAG]A:703 |
x,y,z |
1_555 |
5 |
1 |
362 |
72.5 |
1.8 |
0.067 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[NAG]B:704 |
10 |
1 |
354 |
cf |
[NAG]B:703 |
x,y,z |
1_555 |
6 |
1 |
364 |
71.9 |
1.4 |
0.072 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[NAG]A:708 |
9 |
1 |
363 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
6 |
1 |
362 |
66.0 |
1.2 |
0.077 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[CL]C:707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
22181 |
65.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.085 |
40 |
|
[CL]A:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
22152 |
61.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.085 |
41 |
|
[CL]A:713 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
22130 |
59.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.085 |
42 |
|
[CL]D:710 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
22204 |
58.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
61.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.085 |
32 |
43 |
|
[NAG]A:708 |
4 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22130 |
65.3 |
1.9 |
0.591 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[NAG]D:708 |
6 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
22204 |
64.2 |
0.8 |
0.351 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[FUC]D:706 |
6 |
1 |
282 |
cf |
[NAG]D:707 |
x,y,z |
1_555 |
8 |
1 |
361 |
63.1 |
2.5 |
0.171 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[PO4]B:707 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
22152 |
62.0 |
-3.2 |
0.868 |
2 |
0 |
0 |
0.020 |
36 |
47 |
|
[FUC]D:706 |
6 |
1 |
282 |
f |
[NAG]D:708 |
x,y,z |
1_555 |
8 |
1 |
362 |
61.9 |
2.5 |
0.151 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[BMA]D:703 |
6 |
1 |
292 |
cf |
[NAG]D:705 |
x,y,z |
1_555 |
5 |
1 |
364 |
59.8 |
1.2 |
0.109 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[BMA]A:704 |
5 |
1 |
292 |
cf |
[NAG]A:705 |
x,y,z |
1_555 |
6 |
1 |
358 |
58.0 |
1.7 |
0.122 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[PO4]B:707 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
22204 |
50.0 |
-2.3 |
0.882 |
0 |
0 |
0 |
0.011 |
40 |
51 |
|
[FUC]A:706 |
7 |
1 |
283 |
f |
[NAG]A:708 |
x,y,z |
1_555 |
4 |
1 |
363 |
46.7 |
2.0 |
0.205 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[CL]A:712 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
22130 |
39.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
C |
9 |
3 |
22181 |
◊ |
[CL]D:710 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
39.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[CL]A:713 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
22152 |
32.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[CL]C:707 |
1 |
1 |
125 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
1 |
22204 |
31.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[ZN]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
22130 |
33.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.240 |
57 |
|
[ZN]C:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
22181 |
33.0 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.240 |
58 |
|
[ZN]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
22152 |
32.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.240 |
59 |
|
[ZN]D:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
22204 |
31.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
32.5 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.240 |
43 |
60 |
|
[NAG]B:704 |
5 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
22152 |
33.4 |
-0.2 |
0.065 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[NAG]C:704 |
6 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
22181 |
33.0 |
0.6 |
0.182 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
22130 |
32.5 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.235 |
63 |
|
[ZN]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
22181 |
32.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.235 |
64 |
|
[ZN]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
22152 |
31.8 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.235 |
65 |
|
[ZN]D:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
22204 |
30.7 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.235 |
Average: |
31.8 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.235 |
46 |
66 |
|
[PO4]D:709 |
3 |
1 |
188 |
f |
[ZN]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.059 |
47 |
67 |
|
[PO4]D:709 |
3 |
1 |
188 |
f |
[ZN]D:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.108 |
68 |
|
[PO4]C:706 |
4 |
1 |
188 |
f |
[ZN]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.108 |
69 |
|
[PO4]B:706 |
4 |
1 |
187 |
f |
[ZN]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
25.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.108 |
48 |
70 |
|
[PO4]C:706 |
4 |
1 |
188 |
f |
[ZN]C:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.051 |
71 |
|
[PO4]B:706 |
3 |
1 |
187 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
24.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.051 |
49 |
72 |
|
[NAG]D:705 |
4 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
22204 |
25.2 |
0.3 |
0.132 |
0 |
0 |
0 |
0.000 |
50 |
73 |
|
[PO4]A:709 |
3 |
1 |
188 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.045 |
51 |
74 |
|
[PO4]A:709 |
4 |
1 |
188 |
f |
[ZN]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.046 |
52 |
75 |
|
[NAG]A:705 |
4 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22130 |
18.6 |
0.2 |
0.211 |
0 |
0 |
0 |
0.000 |
53 |
76 |
|
B |
3 |
1 |
22152 |
◊ |
A |
-y,x+1,z+1/4 |
3_565 |
1 |
1 |
22130 |
16.9 |
-0.5 |
0.217 |
0 |
0 |
0 |
0.000 |
77 |
|
D |
1 |
1 |
22204 |
◊ |
C |
-y,x+1,z+1/4 |
3_565 |
1 |
1 |
22181 |
1.5 |
-0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
Average: |
9.2 |
-0.3 |
0.346 |
0 |
0 |
0 |
0.000 |
54 |
78 |
|
[ZN]B:702 |
1 |
1 |
98 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.052 |
55 |
79 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
80 |
|
[ZN]C:702 |
1 |
1 |
98 |
f |
[ZN]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
81 |
|
[ZN]D:702 |
1 |
1 |
98 |
f |
[ZN]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.042 |
|