| ## |
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 |
|
G |
154 |
40 |
11793 |
◊ |
F |
x,y,z |
1_555 |
166 |
44 |
11892 |
1497.7 |
-10.6 |
0.328 |
19 |
12 |
0 |
0.679 |
2 |
|
I |
154 |
44 |
11301 |
◊ |
H |
x,y,z |
1_555 |
169 |
46 |
11690 |
1495.0 |
-11.4 |
0.238 |
18 |
10 |
0 |
0.679 |
3 |
|
C |
153 |
41 |
11089 |
◊ |
B |
x,y,z |
1_555 |
169 |
46 |
11171 |
1476.0 |
-10.5 |
0.324 |
21 |
10 |
0 |
0.679 |
4 |
|
J |
145 |
39 |
11326 |
◊ |
I |
x,y,z |
1_555 |
167 |
46 |
11301 |
1451.8 |
-11.7 |
0.214 |
17 |
10 |
0 |
0.679 |
5 |
|
J |
165 |
44 |
11326 |
◊ |
F |
x,y,z |
1_555 |
152 |
40 |
11892 |
1449.9 |
-11.6 |
0.215 |
20 |
10 |
0 |
0.679 |
6 |
|
D |
150 |
42 |
11490 |
◊ |
C |
x,y,z |
1_555 |
161 |
45 |
11089 |
1430.6 |
-13.3 |
0.214 |
18 |
11 |
0 |
0.679 |
7 |
|
E |
157 |
43 |
11681 |
◊ |
A |
x,y,z |
1_555 |
148 |
37 |
11780 |
1414.8 |
-11.6 |
0.238 |
19 |
10 |
0 |
0.679 |
8 |
|
H |
147 |
41 |
11690 |
◊ |
G |
x,y,z |
1_555 |
159 |
45 |
11793 |
1386.2 |
-11.0 |
0.230 |
16 |
10 |
0 |
0.679 |
9 |
|
B |
141 |
38 |
11171 |
◊ |
A |
x,y,z |
1_555 |
160 |
43 |
11780 |
1378.7 |
-8.0 |
0.379 |
16 |
11 |
0 |
0.679 |
10 |
|
E |
143 |
37 |
11681 |
◊ |
D |
x,y,z |
1_555 |
161 |
45 |
11490 |
1374.8 |
-11.9 |
0.252 |
17 |
10 |
0 |
0.679 |
| Average: |
1435.6 |
-11.2 |
0.263 |
18 |
10 |
0 |
0.679 |
| 2 |
11 |
|
G |
67 |
16 |
11793 |
◊ |
A |
x,y,z-1 |
1_554 |
68 |
16 |
11780 |
663.4 |
-5.5 |
0.302 |
8 |
0 |
0 |
0.028 |
| 3 |
12 |
|
H |
51 |
17 |
11690 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
57 |
16 |
11326 |
454.3 |
0.5 |
0.652 |
3 |
0 |
0 |
0.000 |
| 4 |
13 |
|
B |
46 |
13 |
11171 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
50 |
15 |
11490 |
427.6 |
0.2 |
0.707 |
11 |
0 |
0 |
0.000 |
| 5 |
14 |
|
C |
50 |
16 |
11089 |
◊ |
I |
x-1,y,z |
1_455 |
43 |
12 |
11301 |
394.2 |
-3.4 |
0.403 |
3 |
1 |
0 |
0.000 |
| 6 |
15 |
|
F |
26 |
5 |
11892 |
◊ |
D |
x,y,z-1 |
1_554 |
43 |
11 |
11490 |
335.9 |
-2.5 |
0.244 |
4 |
0 |
0 |
0.027 |
16 |
|
J |
41 |
11 |
11326 |
◊ |
E |
x,y,z-1 |
1_554 |
28 |
6 |
11681 |
327.2 |
-2.8 |
0.205 |
4 |
0 |
0 |
0.027 |
| Average: |
331.5 |
-2.6 |
0.224 |
4 |
0 |
0 |
0.027 |
| 7 |
17 |
|
G |
33 |
9 |
11793 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
11089 |
321.4 |
-3.5 |
0.294 |
2 |
0 |
0 |
0.000 |
18 |
|
F |
33 |
9 |
11892 |
◊ |
D |
x,y,z |
1_555 |
31 |
9 |
11490 |
317.6 |
-3.2 |
0.328 |
2 |
0 |
0 |
0.000 |
19 |
|
H |
34 |
10 |
11690 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
11171 |
316.5 |
-3.2 |
0.306 |
2 |
0 |
0 |
0.000 |
20 |
|
I |
32 |
9 |
11301 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
11780 |
310.1 |
-3.1 |
0.335 |
2 |
0 |
0 |
0.000 |
21 |
|
J |
32 |
10 |
11326 |
◊ |
E |
x,y,z |
1_555 |
32 |
9 |
11681 |
306.1 |
-3.1 |
0.297 |
2 |
0 |
0 |
0.000 |
| Average: |
314.3 |
-3.2 |
0.312 |
2 |
0 |
0 |
0.000 |
| 8 |
22 |
|
[4P6]I:303 |
18 |
1 |
439 |
f |
I |
x,y,z |
1_555 |
36 |
8 |
11301 |
207.8 |
-0.6 |
0.170 |
0 |
0 |
0 |
0.022 |
23 |
|
[4P6]D:302 |
18 |
1 |
434 |
f |
D |
x,y,z |
1_555 |
36 |
9 |
11490 |
204.5 |
-0.6 |
0.162 |
0 |
0 |
0 |
0.022 |
24 |
|
[4P6]B:302 |
18 |
1 |
434 |
f |
B |
x,y,z |
1_555 |
35 |
8 |
11171 |
203.9 |
-0.5 |
0.160 |
0 |
0 |
0 |
0.022 |
25 |
|
[4P6]J:302 |
18 |
1 |
435 |
f |
J |
x,y,z |
1_555 |
35 |
8 |
11326 |
203.2 |
-0.7 |
0.135 |
0 |
0 |
0 |
0.022 |
26 |
|
[4P6]E:301 |
18 |
1 |
436 |
f |
E |
x,y,z |
1_555 |
36 |
8 |
11681 |
202.8 |
-0.6 |
0.164 |
0 |
0 |
0 |
0.022 |
27 |
|
[4P6]H:301 |
18 |
1 |
438 |
f |
H |
x,y,z |
1_555 |
35 |
7 |
11690 |
201.9 |
-0.8 |
0.147 |
0 |
0 |
0 |
0.022 |
28 |
|
[4P6]F:301 |
18 |
1 |
434 |
f |
F |
x,y,z |
1_555 |
33 |
8 |
11892 |
201.6 |
-0.5 |
0.163 |
0 |
0 |
0 |
0.022 |
29 |
|
[4P6]G:303 |
18 |
1 |
435 |
f |
G |
x,y,z |
1_555 |
35 |
8 |
11793 |
197.6 |
-0.7 |
0.166 |
0 |
0 |
0 |
0.022 |
30 |
|
[4P6]A:303 |
18 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
30 |
8 |
11780 |
187.8 |
-0.7 |
0.137 |
0 |
0 |
0 |
0.022 |
| Average: |
201.2 |
-0.6 |
0.156 |
0 |
0 |
0 |
0.022 |
| 9 |
31 |
|
[4P6]C:302 |
18 |
1 |
441 |
f |
C |
x,y,z |
1_555 |
34 |
8 |
11089 |
198.6 |
-1.2 |
0.154 |
0 |
0 |
0 |
0.016 |
| 10 |
32 |
|
[4P6]A:303 |
17 |
1 |
433 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
11171 |
191.6 |
2.5 |
0.282 |
0 |
0 |
0 |
0.000 |
33 |
|
[4P6]H:301 |
17 |
1 |
438 |
◊ |
I |
x,y,z |
1_555 |
26 |
10 |
11301 |
190.8 |
2.2 |
0.303 |
0 |
0 |
0 |
0.000 |
34 |
|
[4P6]E:301 |
16 |
1 |
436 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
11780 |
189.4 |
2.1 |
0.290 |
0 |
0 |
0 |
0.000 |
35 |
|
[4P6]G:303 |
17 |
1 |
435 |
◊ |
H |
x,y,z |
1_555 |
25 |
9 |
11690 |
188.4 |
2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
36 |
|
[4P6]B:302 |
17 |
1 |
434 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
11089 |
188.0 |
1.8 |
0.271 |
0 |
0 |
0 |
0.000 |
37 |
|
[4P6]J:302 |
17 |
1 |
435 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
11892 |
188.0 |
2.1 |
0.269 |
0 |
0 |
0 |
0.000 |
38 |
|
[4P6]I:303 |
17 |
1 |
439 |
◊ |
J |
x,y,z |
1_555 |
27 |
9 |
11326 |
186.9 |
2.2 |
0.280 |
0 |
0 |
0 |
0.000 |
39 |
|
[4P6]F:301 |
17 |
1 |
434 |
◊ |
G |
x,y,z |
1_555 |
28 |
10 |
11793 |
186.3 |
2.1 |
0.286 |
0 |
0 |
0 |
0.000 |
40 |
|
[4P6]D:302 |
17 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
27 |
9 |
11681 |
185.1 |
1.7 |
0.254 |
0 |
0 |
0 |
0.000 |
| Average: |
188.3 |
2.1 |
0.278 |
0 |
0 |
0 |
0.000 |
| 11 |
41 |
|
[4P6]C:302 |
15 |
1 |
441 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
11490 |
186.0 |
2.9 |
0.340 |
0 |
0 |
0 |
0.000 |
| 12 |
42 |
|
A |
14 |
4 |
11780 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
18 |
6 |
11490 |
139.6 |
-1.0 |
0.429 |
0 |
0 |
0 |
0.000 |
| 13 |
43 |
|
H |
15 |
6 |
11690 |
◊ |
I |
-x,y-1/2,-z-1 |
2_544 |
19 |
4 |
11301 |
135.1 |
0.3 |
0.631 |
2 |
0 |
0 |
0.000 |
| 14 |
44 |
|
H |
13 |
5 |
11690 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11780 |
112.2 |
2.4 |
0.884 |
1 |
0 |
0 |
0.000 |
45 |
|
F |
14 |
5 |
11892 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
11089 |
110.5 |
2.3 |
0.905 |
1 |
0 |
0 |
0.000 |
46 |
|
G |
9 |
4 |
11793 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11171 |
100.2 |
2.4 |
0.923 |
2 |
0 |
0 |
0.000 |
47 |
|
I |
11 |
4 |
11301 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
11681 |
99.6 |
2.3 |
0.911 |
1 |
0 |
0 |
0.000 |
48 |
|
J |
12 |
4 |
11326 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
11490 |
98.2 |
2.2 |
0.892 |
1 |
0 |
0 |
0.000 |
| Average: |
104.1 |
2.3 |
0.903 |
1 |
0 |
0 |
0.000 |
| 15 |
49 |
|
C |
13 |
2 |
11089 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
11690 |
87.3 |
-2.1 |
0.186 |
0 |
0 |
0 |
0.000 |
| 16 |
50 |
|
B |
12 |
5 |
11171 |
◊ |
I |
x-1,y,z |
1_455 |
11 |
3 |
11301 |
78.6 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
| 17 |
51 |
|
[PO4]G:301 |
5 |
1 |
189 |
f |
G |
x,y,z |
1_555 |
14 |
5 |
11793 |
76.8 |
-5.0 |
0.736 |
2 |
0 |
0 |
0.089 |
| 18 |
52 |
|
[PO4]J:301 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
11892 |
76.3 |
-4.9 |
0.781 |
3 |
0 |
0 |
0.092 |
| 19 |
53 |
|
[PO4]G:302 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
11690 |
76.1 |
-4.8 |
0.768 |
3 |
0 |
0 |
0.088 |
| 20 |
54 |
|
[PO4]C:301 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11490 |
76.1 |
-5.0 |
0.740 |
2 |
0 |
0 |
0.091 |
| 21 |
55 |
|
[PO4]I:301 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
16 |
5 |
11301 |
76.1 |
-4.9 |
0.783 |
3 |
0 |
0 |
0.091 |
| 22 |
56 |
|
[PO4]I:302 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
15 |
5 |
11326 |
76.1 |
-4.8 |
0.751 |
3 |
0 |
0 |
0.090 |
| 23 |
57 |
|
[PO4]B:301 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
11089 |
75.8 |
-4.9 |
0.782 |
3 |
0 |
0 |
0.084 |
| 24 |
58 |
|
[PO4]D:301 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
11681 |
75.8 |
-4.9 |
0.781 |
3 |
0 |
0 |
0.091 |
| 25 |
59 |
|
[PO4]J:301 |
5 |
1 |
189 |
◊ |
J |
x,y,z |
1_555 |
12 |
6 |
11326 |
75.7 |
-4.6 |
0.668 |
1 |
0 |
0 |
0.033 |
| 26 |
60 |
|
[PO4]A:302 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
11171 |
75.6 |
-5.0 |
0.710 |
2 |
0 |
0 |
0.092 |
| 27 |
61 |
|
[PO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11780 |
75.6 |
-4.9 |
0.769 |
3 |
0 |
0 |
0.090 |
| 28 |
62 |
|
[PO4]C:301 |
5 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
11089 |
75.6 |
-4.6 |
0.713 |
1 |
0 |
0 |
0.033 |
| 29 |
63 |
|
[PO4]A:302 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11780 |
75.4 |
-4.7 |
0.689 |
2 |
0 |
0 |
0.036 |
| 30 |
64 |
|
[PO4]B:301 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11171 |
75.4 |
-4.0 |
0.845 |
2 |
0 |
0 |
0.032 |
| 31 |
65 |
|
[PO4]D:301 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
11490 |
75.3 |
-4.6 |
0.711 |
1 |
0 |
0 |
0.033 |
| 32 |
66 |
|
[PO4]I:301 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
15 |
6 |
11690 |
75.3 |
-4.6 |
0.690 |
2 |
0 |
0 |
0.035 |
| 33 |
67 |
|
[PO4]A:301 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
11681 |
75.2 |
-4.6 |
0.701 |
2 |
0 |
0 |
0.036 |
| 34 |
68 |
|
[PO4]G:302 |
5 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
14 |
6 |
11793 |
75.2 |
-4.6 |
0.693 |
2 |
0 |
0 |
0.036 |
| 35 |
69 |
|
[PO4]G:301 |
5 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
11892 |
74.9 |
-4.5 |
0.716 |
1 |
0 |
0 |
0.032 |
| 36 |
70 |
|
[PO4]I:302 |
5 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
11301 |
74.9 |
-4.6 |
0.711 |
2 |
0 |
0 |
0.036 |
| 37 |
71 |
|
B |
6 |
2 |
11171 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
4 |
11690 |
52.9 |
0.5 |
0.712 |
1 |
0 |
0 |
0.000 |
| 38 |
72 |
|
G |
9 |
3 |
11793 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
11301 |
51.6 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 39 |
73 |
|
G |
8 |
4 |
11793 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
11490 |
51.4 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
| 40 |
74 |
|
F |
5 |
2 |
11892 |
◊ |
I |
x-1,y,z |
1_455 |
4 |
2 |
11301 |
47.4 |
1.1 |
0.878 |
1 |
3 |
0 |
0.000 |
| 41 |
75 |
|
G |
5 |
2 |
11793 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
11892 |
39.8 |
0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
| 42 |
76 |
|
G |
1 |
1 |
11793 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
11681 |
15.9 |
-0.1 |
0.357 |
0 |
0 |
0 |
0.001 |
77 |
|
F |
1 |
1 |
11892 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
11780 |
8.8 |
-0.3 |
0.223 |
0 |
0 |
0 |
0.001 |
| Average: |
12.4 |
-0.2 |
0.290 |
0 |
0 |
0 |
0.001 |
| 43 |
78 |
|
I |
1 |
1 |
11301 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
11681 |
12.9 |
-0.4 |
0.168 |
0 |
0 |
0 |
0.002 |
79 |
|
F |
1 |
1 |
11892 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11089 |
9.0 |
-0.3 |
0.227 |
0 |
0 |
0 |
0.002 |
| Average: |
10.9 |
-0.4 |
0.198 |
0 |
0 |
0 |
0.002 |
| 44 |
80 |
|
C |
2 |
1 |
11089 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
11681 |
11.4 |
0.5 |
0.849 |
0 |
0 |
0 |
0.000 |
| 45 |
81 |
|
B |
1 |
1 |
11171 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
11089 |
4.6 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
| 46 |
82 |
|
A |
1 |
1 |
11780 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11326 |
0.7 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
|