## |
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 |
157 |
39 |
11822 |
◊ |
A |
x,y,z |
1_555 |
172 |
44 |
11914 |
1524.9 |
-10.0 |
0.361 |
20 |
11 |
0 |
0.683 |
2 |
|
I |
150 |
40 |
11358 |
◊ |
H |
x,y,z |
1_555 |
168 |
45 |
11453 |
1474.9 |
-9.5 |
0.380 |
21 |
11 |
0 |
0.683 |
3 |
|
D |
144 |
41 |
11118 |
◊ |
C |
x,y,z |
1_555 |
174 |
47 |
11391 |
1467.9 |
-10.9 |
0.347 |
18 |
10 |
0 |
0.683 |
4 |
|
G |
150 |
38 |
11721 |
◊ |
F |
x,y,z |
1_555 |
164 |
43 |
11551 |
1453.0 |
-9.7 |
0.431 |
18 |
12 |
0 |
0.683 |
5 |
|
J |
149 |
41 |
11482 |
◊ |
I |
x,y,z |
1_555 |
162 |
42 |
11358 |
1445.6 |
-10.7 |
0.297 |
17 |
11 |
0 |
0.683 |
6 |
|
E |
162 |
45 |
11252 |
◊ |
A |
x,y,z |
1_555 |
146 |
39 |
11914 |
1412.5 |
-10.6 |
0.246 |
19 |
11 |
0 |
0.683 |
7 |
|
C |
147 |
39 |
11391 |
◊ |
B |
x,y,z |
1_555 |
157 |
43 |
11822 |
1407.1 |
-12.0 |
0.265 |
18 |
10 |
0 |
0.683 |
8 |
|
E |
138 |
36 |
11252 |
◊ |
D |
x,y,z |
1_555 |
160 |
44 |
11118 |
1387.8 |
-10.8 |
0.292 |
17 |
11 |
0 |
0.683 |
9 |
|
J |
162 |
44 |
11482 |
◊ |
F |
x,y,z |
1_555 |
137 |
36 |
11551 |
1374.7 |
-11.4 |
0.275 |
18 |
10 |
0 |
0.683 |
10 |
|
H |
140 |
37 |
11453 |
◊ |
G |
x,y,z |
1_555 |
149 |
43 |
11721 |
1333.9 |
-10.1 |
0.310 |
15 |
11 |
0 |
0.683 |
Average: |
1428.2 |
-10.6 |
0.321 |
18 |
11 |
0 |
0.683 |
2 |
11 |
|
G |
65 |
16 |
11721 |
◊ |
B |
x,y,z-1 |
1_554 |
66 |
16 |
11822 |
651.0 |
-5.7 |
0.332 |
6 |
0 |
0 |
0.026 |
3 |
12 |
|
H |
49 |
16 |
11453 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
54 |
16 |
11482 |
429.7 |
-0.2 |
0.672 |
9 |
0 |
0 |
0.000 |
4 |
13 |
|
C |
50 |
16 |
11391 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
57 |
15 |
11252 |
428.6 |
1.0 |
0.728 |
4 |
0 |
0 |
0.000 |
5 |
14 |
|
D |
41 |
13 |
11118 |
◊ |
I |
x-1,y,z |
1_455 |
50 |
15 |
11358 |
388.0 |
-1.8 |
0.544 |
4 |
2 |
0 |
0.000 |
6 |
15 |
|
J |
42 |
11 |
11482 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
5 |
11914 |
328.7 |
-2.8 |
0.217 |
5 |
0 |
0 |
0.031 |
16 |
|
F |
25 |
5 |
11551 |
◊ |
E |
x,y,z-1 |
1_554 |
40 |
11 |
11252 |
316.3 |
-3.2 |
0.181 |
4 |
0 |
0 |
0.031 |
Average: |
322.5 |
-3.0 |
0.199 |
5 |
0 |
0 |
0.031 |
7 |
17 |
|
I |
33 |
9 |
11358 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
11822 |
320.2 |
-3.2 |
0.351 |
2 |
0 |
0 |
0.000 |
18 |
|
J |
31 |
9 |
11482 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
11914 |
315.1 |
-3.2 |
0.308 |
2 |
0 |
0 |
0.000 |
19 |
|
H |
34 |
10 |
11453 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
11391 |
308.7 |
-3.1 |
0.329 |
2 |
0 |
0 |
0.000 |
20 |
|
G |
34 |
9 |
11721 |
◊ |
D |
x,y,z |
1_555 |
32 |
9 |
11118 |
306.5 |
-3.3 |
0.345 |
2 |
0 |
0 |
0.000 |
21 |
|
F |
30 |
8 |
11551 |
◊ |
E |
x,y,z |
1_555 |
31 |
9 |
11252 |
305.2 |
-3.2 |
0.313 |
2 |
0 |
0 |
0.000 |
Average: |
311.2 |
-3.2 |
0.329 |
2 |
0 |
0 |
0.000 |
8 |
22 |
|
[4P7]J:301 |
18 |
1 |
427 |
◊ |
J |
x,y,z |
1_555 |
39 |
9 |
11482 |
206.9 |
1.4 |
0.223 |
0 |
0 |
0 |
0.000 |
23 |
|
[4P7]D:302 |
18 |
1 |
428 |
◊ |
D |
x,y,z |
1_555 |
40 |
9 |
11118 |
206.6 |
1.3 |
0.252 |
0 |
0 |
0 |
0.000 |
24 |
|
[4P7]H:303 |
18 |
1 |
425 |
◊ |
H |
x,y,z |
1_555 |
40 |
9 |
11453 |
205.5 |
1.2 |
0.227 |
0 |
0 |
0 |
0.000 |
25 |
|
[4P7]C:301 |
18 |
1 |
425 |
◊ |
C |
x,y,z |
1_555 |
37 |
8 |
11391 |
201.3 |
1.5 |
0.249 |
0 |
0 |
0 |
0.000 |
26 |
|
[4P7]E:302 |
18 |
1 |
428 |
◊ |
E |
x,y,z |
1_555 |
35 |
8 |
11252 |
201.2 |
1.5 |
0.221 |
0 |
0 |
0 |
0.000 |
27 |
|
[4P7]A:303 |
18 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
35 |
8 |
11914 |
200.8 |
1.7 |
0.245 |
0 |
0 |
0 |
0.000 |
28 |
|
[4P7]F:303 |
18 |
1 |
424 |
◊ |
F |
x,y,z |
1_555 |
36 |
8 |
11551 |
200.0 |
1.6 |
0.269 |
0 |
0 |
0 |
0.000 |
29 |
|
[4P7]B:302 |
18 |
1 |
428 |
◊ |
B |
x,y,z |
1_555 |
35 |
8 |
11822 |
196.4 |
1.4 |
0.233 |
0 |
0 |
0 |
0.000 |
30 |
|
[4P7]G:301 |
17 |
1 |
423 |
◊ |
G |
x,y,z |
1_555 |
30 |
7 |
11721 |
183.3 |
2.2 |
0.271 |
0 |
0 |
0 |
0.000 |
Average: |
200.2 |
1.5 |
0.243 |
0 |
0 |
0 |
0.000 |
9 |
31 |
|
[4P7]I:302 |
18 |
1 |
427 |
f |
J |
x,y,z |
1_555 |
28 |
11 |
11482 |
188.6 |
0.4 |
0.140 |
0 |
0 |
0 |
0.000 |
32 |
|
[4P7]G:301 |
17 |
1 |
423 |
f |
H |
x,y,z |
1_555 |
28 |
10 |
11453 |
188.5 |
1.0 |
0.165 |
0 |
0 |
0 |
0.000 |
33 |
|
[4P7]B:302 |
15 |
1 |
428 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
11391 |
188.3 |
0.6 |
0.190 |
0 |
0 |
0 |
0.000 |
34 |
|
[4P7]E:302 |
17 |
1 |
428 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
11914 |
184.3 |
0.4 |
0.143 |
0 |
0 |
0 |
0.000 |
35 |
|
[4P7]F:303 |
17 |
1 |
424 |
f |
G |
x,y,z |
1_555 |
28 |
10 |
11721 |
182.8 |
0.4 |
0.158 |
0 |
0 |
0 |
0.000 |
36 |
|
[4P7]H:303 |
17 |
1 |
425 |
f |
I |
x,y,z |
1_555 |
27 |
10 |
11358 |
181.7 |
0.6 |
0.173 |
0 |
0 |
0 |
0.000 |
37 |
|
[4P7]D:302 |
17 |
1 |
428 |
f |
E |
x,y,z |
1_555 |
27 |
9 |
11252 |
181.7 |
0.4 |
0.138 |
0 |
0 |
0 |
0.000 |
38 |
|
[4P7]J:301 |
17 |
1 |
427 |
f |
F |
x,y,z |
1_555 |
29 |
10 |
11551 |
180.2 |
0.2 |
0.152 |
0 |
0 |
0 |
0.000 |
39 |
|
[4P7]A:303 |
17 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
11822 |
179.9 |
0.5 |
0.152 |
0 |
0 |
0 |
0.000 |
40 |
|
[4P7]C:301 |
16 |
1 |
425 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
11118 |
179.1 |
0.8 |
0.188 |
0 |
0 |
0 |
0.000 |
Average: |
183.5 |
0.5 |
0.160 |
0 |
0 |
0 |
0.000 |
10 |
41 |
|
[4P7]I:302 |
18 |
1 |
427 |
◊ |
I |
x,y,z |
1_555 |
31 |
7 |
11358 |
186.5 |
1.9 |
0.272 |
0 |
0 |
0 |
0.000 |
11 |
42 |
|
G |
13 |
4 |
11721 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
11482 |
117.4 |
-0.3 |
0.563 |
0 |
0 |
0 |
0.000 |
12 |
43 |
|
H |
13 |
5 |
11453 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
11358 |
110.1 |
0.5 |
0.633 |
0 |
0 |
0 |
0.000 |
13 |
44 |
|
G |
14 |
5 |
11721 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
11391 |
106.4 |
2.4 |
0.909 |
2 |
0 |
0 |
0.000 |
45 |
|
I |
12 |
5 |
11358 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11914 |
104.6 |
2.4 |
0.896 |
0 |
0 |
0 |
0.000 |
46 |
|
F |
11 |
5 |
11551 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
11118 |
99.7 |
2.3 |
0.919 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
12 |
5 |
11453 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11822 |
98.9 |
2.2 |
0.902 |
0 |
0 |
0 |
0.000 |
48 |
|
J |
13 |
4 |
11482 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
11252 |
98.7 |
2.3 |
0.892 |
0 |
0 |
0 |
0.000 |
Average: |
101.6 |
2.3 |
0.903 |
0 |
0 |
0 |
0.000 |
14 |
49 |
|
C |
8 |
2 |
11391 |
◊ |
I |
x-1,y,z |
1_455 |
13 |
2 |
11358 |
90.0 |
-2.1 |
0.201 |
0 |
0 |
0 |
0.000 |
15 |
50 |
|
[PO4]H:301 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
15 |
4 |
11358 |
76.8 |
-4.9 |
0.786 |
3 |
0 |
0 |
0.110 |
16 |
51 |
|
[PO4]A:302 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11822 |
76.5 |
-4.9 |
0.784 |
3 |
0 |
0 |
0.109 |
17 |
52 |
|
[PO4]D:301 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11118 |
76.4 |
-5.0 |
0.789 |
3 |
0 |
0 |
0.114 |
18 |
53 |
|
[PO4]B:301 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
11391 |
76.3 |
-4.8 |
0.784 |
3 |
0 |
0 |
0.112 |
19 |
54 |
|
[PO4]F:301 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
11551 |
76.3 |
-4.9 |
0.794 |
3 |
0 |
0 |
0.103 |
20 |
55 |
|
[PO4]I:301 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
11482 |
76.2 |
-4.9 |
0.769 |
3 |
0 |
0 |
0.107 |
21 |
56 |
|
[PO4]E:301 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
11252 |
76.2 |
-5.1 |
0.716 |
3 |
0 |
0 |
0.108 |
57 |
|
[PO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11914 |
75.9 |
-5.0 |
0.767 |
3 |
0 |
0 |
0.108 |
Average: |
76.0 |
-5.0 |
0.742 |
3 |
0 |
0 |
0.108 |
22 |
58 |
|
[PO4]H:302 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11453 |
76.1 |
-4.9 |
0.726 |
2 |
0 |
0 |
0.120 |
23 |
59 |
|
[PO4]F:301 |
5 |
1 |
188 |
◊ |
J |
x,y,z |
1_555 |
13 |
6 |
11482 |
75.5 |
-4.5 |
0.700 |
1 |
0 |
0 |
0.034 |
24 |
60 |
|
[PO4]F:302 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
11721 |
75.5 |
-4.8 |
0.789 |
3 |
0 |
0 |
0.108 |
25 |
61 |
|
[PO4]B:301 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11822 |
75.4 |
-4.6 |
0.707 |
2 |
0 |
0 |
0.037 |
26 |
62 |
|
[PO4]F:302 |
5 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
11551 |
75.3 |
-4.6 |
0.719 |
2 |
0 |
0 |
0.038 |
27 |
63 |
|
[PO4]H:301 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
11453 |
75.3 |
-4.0 |
0.842 |
2 |
0 |
0 |
0.033 |
28 |
64 |
|
[PO4]H:302 |
5 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
11721 |
75.0 |
-4.6 |
0.717 |
2 |
0 |
0 |
0.038 |
29 |
65 |
|
[PO4]A:301 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
11252 |
74.8 |
-4.5 |
0.668 |
2 |
0 |
0 |
0.072 |
66 |
|
[PO4]E:301 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
11118 |
74.1 |
-4.5 |
0.721 |
2 |
0 |
0 |
0.072 |
Average: |
74.5 |
-4.5 |
0.694 |
2 |
0 |
0 |
0.072 |
30 |
67 |
|
[PO4]A:302 |
5 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
11914 |
74.6 |
-4.6 |
0.694 |
1 |
0 |
0 |
0.033 |
31 |
68 |
|
[PO4]I:301 |
5 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
11358 |
74.5 |
-4.6 |
0.720 |
2 |
0 |
0 |
0.037 |
32 |
69 |
|
[PO4]D:301 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11391 |
74.0 |
-4.5 |
0.706 |
2 |
0 |
0 |
0.036 |
33 |
70 |
|
C |
9 |
4 |
11391 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
11118 |
73.9 |
1.0 |
0.713 |
1 |
0 |
0 |
0.000 |
34 |
71 |
|
D |
10 |
3 |
11118 |
◊ |
H |
x-1,y,z |
1_455 |
6 |
3 |
11453 |
54.8 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
35 |
72 |
|
B |
9 |
4 |
11822 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
11482 |
51.5 |
0.7 |
0.704 |
0 |
0 |
0 |
0.000 |
36 |
73 |
|
C |
7 |
3 |
11391 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
1 |
11453 |
47.2 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
37 |
74 |
|
B |
4 |
2 |
11822 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
11914 |
40.4 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
38 |
75 |
|
F |
2 |
2 |
11551 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
11822 |
35.2 |
-1.1 |
0.107 |
0 |
0 |
0 |
0.004 |
76 |
|
G |
2 |
1 |
11721 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
11914 |
17.3 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.004 |
Average: |
26.3 |
-0.6 |
0.272 |
0 |
0 |
0 |
0.004 |
39 |
77 |
|
D |
4 |
3 |
11118 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
11822 |
34.6 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
40 |
78 |
|
D |
2 |
2 |
11118 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
11914 |
18.5 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
41 |
79 |
|
I |
1 |
1 |
11358 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
11914 |
13.8 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.001 |
80 |
|
F |
1 |
1 |
11551 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
11118 |
11.9 |
-0.4 |
0.178 |
0 |
0 |
0 |
0.001 |
Average: |
12.8 |
-0.2 |
0.280 |
0 |
0 |
0 |
0.001 |
42 |
81 |
|
G |
1 |
1 |
11721 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11551 |
4.9 |
0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
43 |
82 |
|
G |
2 |
2 |
11721 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11252 |
2.2 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
|