## |
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 |
|
D |
233 |
59 |
10593 |
◊ |
B |
x,y,z |
1_555 |
231 |
58 |
11154 |
2117.0 |
-17.9 |
0.229 |
24 |
0 |
0 |
0.520 |
2 |
|
E |
237 |
60 |
10963 |
◊ |
C |
x,y,z |
1_555 |
227 |
57 |
10719 |
2107.3 |
-18.6 |
0.216 |
25 |
0 |
0 |
0.520 |
3 |
|
F |
229 |
57 |
10782 |
◊ |
A |
x,y,z |
1_555 |
231 |
59 |
10880 |
2070.1 |
-15.6 |
0.305 |
21 |
1 |
0 |
0.520 |
Average: |
2098.1 |
-17.3 |
0.250 |
23 |
0 |
0 |
0.520 |
2 |
4 |
|
E |
104 |
34 |
10963 |
◊ |
A |
x,y,z |
1_555 |
99 |
32 |
10880 |
973.5 |
-22.4 |
0.001 |
2 |
1 |
0 |
0.466 |
5 |
|
F |
100 |
32 |
10782 |
◊ |
B |
x,y,z |
1_555 |
104 |
34 |
11154 |
966.1 |
-22.5 |
0.001 |
2 |
0 |
0 |
0.466 |
6 |
|
D |
107 |
34 |
10593 |
◊ |
C |
x,y,z |
1_555 |
101 |
33 |
10719 |
964.4 |
-21.2 |
0.002 |
3 |
1 |
0 |
0.466 |
Average: |
968.0 |
-22.0 |
0.001 |
2 |
1 |
0 |
0.466 |
3 |
7 |
|
B |
43 |
13 |
11154 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
45 |
13 |
10963 |
416.0 |
1.7 |
0.817 |
9 |
2 |
0 |
0.000 |
4 |
8 |
|
F |
43 |
13 |
10782 |
x |
F |
x-1/2,-y-1/2,-z |
4_445 |
39 |
10 |
10782 |
343.2 |
-1.0 |
0.583 |
8 |
0 |
0 |
0.000 |
5 |
9 |
|
F |
29 |
8 |
10782 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
8 |
10880 |
309.5 |
-1.0 |
0.567 |
3 |
1 |
0 |
0.000 |
6 |
10 |
|
A |
30 |
12 |
10880 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
14 |
10963 |
303.5 |
-0.3 |
0.669 |
5 |
2 |
0 |
0.000 |
7 |
11 |
|
B |
32 |
8 |
11154 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
7 |
10963 |
259.5 |
0.5 |
0.717 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
F |
16 |
4 |
10782 |
◊ |
E |
x,y,z |
1_555 |
24 |
9 |
10963 |
209.5 |
2.6 |
0.789 |
6 |
2 |
0 |
0.018 |
13 |
|
C |
18 |
4 |
10719 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
10880 |
199.3 |
0.2 |
0.603 |
3 |
1 |
0 |
0.018 |
14 |
|
B |
22 |
9 |
11154 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
10880 |
195.4 |
1.3 |
0.725 |
5 |
2 |
0 |
0.018 |
15 |
|
F |
21 |
6 |
10782 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
10593 |
193.5 |
1.3 |
0.638 |
4 |
1 |
0 |
0.018 |
16 |
|
E |
15 |
3 |
10963 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
10593 |
187.0 |
0.7 |
0.705 |
4 |
0 |
0 |
0.018 |
17 |
|
C |
24 |
9 |
10719 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
11154 |
171.4 |
1.0 |
0.672 |
3 |
0 |
0 |
0.018 |
Average: |
192.7 |
1.2 |
0.688 |
4 |
1 |
0 |
0.018 |
9 |
18 |
|
[1PE]B:1001 |
11 |
1 |
479 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
11154 |
166.9 |
-1.1 |
0.526 |
2 |
0 |
0 |
0.039 |
10 |
19 |
|
[TDR]F:906 |
9 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
29 |
15 |
10782 |
161.9 |
2.0 |
0.649 |
3 |
0 |
0 |
0.053 |
20 |
|
[TDR]A:901 |
9 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
10880 |
161.2 |
-0.5 |
0.415 |
5 |
0 |
0 |
0.053 |
21 |
|
[TDR]C:903 |
9 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
27 |
15 |
10719 |
159.9 |
2.0 |
0.647 |
4 |
0 |
0 |
0.053 |
22 |
|
[TDR]B:902 |
9 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
11154 |
157.7 |
2.1 |
0.647 |
4 |
0 |
0 |
0.053 |
23 |
|
[TDR]E:905 |
9 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
30 |
15 |
10963 |
157.5 |
2.2 |
0.662 |
5 |
0 |
0 |
0.053 |
Average: |
159.6 |
1.6 |
0.604 |
4 |
0 |
0 |
0.053 |
11 |
24 |
|
[TDR]D:904 |
9 |
1 |
263 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
10593 |
159.6 |
2.1 |
0.651 |
5 |
0 |
0 |
0.003 |
12 |
25 |
|
C |
16 |
4 |
10719 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
19 |
7 |
10593 |
156.5 |
1.7 |
0.832 |
2 |
1 |
0 |
0.000 |
13 |
26 |
|
F |
19 |
6 |
10782 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
10593 |
154.5 |
-0.4 |
0.532 |
2 |
1 |
0 |
0.000 |
14 |
27 |
|
A |
16 |
7 |
10880 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
10719 |
130.9 |
0.5 |
0.720 |
4 |
2 |
0 |
0.000 |
15 |
28 |
|
A |
18 |
7 |
10880 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
10782 |
127.9 |
3.6 |
0.919 |
2 |
2 |
0 |
0.000 |
16 |
29 |
|
[PO4]C:803 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
10719 |
104.8 |
-6.9 |
0.670 |
5 |
0 |
0 |
0.183 |
30 |
|
[PO4]B:802 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11154 |
96.3 |
-6.1 |
0.768 |
7 |
0 |
0 |
0.183 |
Average: |
100.6 |
-6.5 |
0.719 |
6 |
0 |
0 |
0.183 |
17 |
31 |
|
A |
11 |
3 |
10880 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
10880 |
103.8 |
-0.5 |
0.567 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[PO4]F:806 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
10782 |
97.5 |
-5.1 |
0.828 |
9 |
0 |
0 |
0.181 |
19 |
33 |
|
[PO4]D:804 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
10593 |
96.7 |
-7.6 |
0.556 |
7 |
0 |
0 |
0.213 |
20 |
34 |
|
[PO4]A:801 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
10880 |
96.3 |
-5.0 |
0.834 |
8 |
0 |
0 |
0.167 |
21 |
35 |
|
[PO4]E:805 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
10963 |
95.6 |
-6.5 |
0.741 |
7 |
0 |
0 |
0.188 |
22 |
36 |
|
[GOL]E:1015 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
10963 |
91.7 |
-0.8 |
0.459 |
2 |
0 |
0 |
0.033 |
23 |
37 |
|
[GOL]C:1013 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
10593 |
90.0 |
-1.5 |
0.335 |
1 |
0 |
0 |
0.039 |
24 |
38 |
|
[GOL]A:1254 |
6 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
10963 |
89.9 |
-1.2 |
0.354 |
2 |
0 |
0 |
0.040 |
25 |
39 |
|
[GOL]F:1011 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
10782 |
89.7 |
-1.0 |
0.406 |
2 |
0 |
0 |
0.037 |
26 |
40 |
|
[GOL]A:1254 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10880 |
88.9 |
-1.0 |
0.400 |
3 |
0 |
0 |
0.045 |
27 |
41 |
|
[GOL]C:1013 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
10719 |
88.7 |
-0.7 |
0.454 |
3 |
0 |
0 |
0.040 |
28 |
42 |
|
[GOL]F:1011 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
11154 |
85.9 |
-1.2 |
0.417 |
0 |
0 |
0 |
0.023 |
29 |
43 |
|
[GOL]B:1014 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
11154 |
71.8 |
0.0 |
0.575 |
1 |
0 |
0 |
0.009 |
30 |
44 |
|
[PO4]F:807 |
4 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
6 |
1 |
10782 |
53.2 |
-2.5 |
0.869 |
2 |
0 |
0 |
0.067 |
31 |
45 |
|
B |
6 |
3 |
11154 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
10593 |
51.8 |
1.3 |
0.869 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[PO4]F:807 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
10593 |
51.2 |
-2.4 |
0.892 |
2 |
0 |
0 |
0.012 |
33 |
47 |
|
[PO4]F:807 |
4 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
10963 |
51.0 |
-2.4 |
0.893 |
2 |
0 |
0 |
0.013 |
34 |
48 |
|
[PO4]A:808 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
10880 |
46.8 |
-1.9 |
0.889 |
2 |
0 |
0 |
0.011 |
35 |
49 |
|
[PO4]A:808 |
3 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
10719 |
46.5 |
-2.3 |
0.852 |
2 |
0 |
0 |
0.063 |
36 |
50 |
|
[PO4]A:808 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11154 |
46.4 |
-1.9 |
0.896 |
2 |
0 |
0 |
0.011 |
37 |
51 |
|
A |
4 |
2 |
10880 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
11154 |
42.6 |
-0.1 |
0.345 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[PO4]C:803 |
3 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10963 |
40.3 |
-0.8 |
0.927 |
2 |
0 |
0 |
0.030 |
53 |
|
[PO4]B:802 |
3 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10593 |
39.4 |
-0.7 |
0.932 |
2 |
0 |
0 |
0.030 |
Average: |
39.9 |
-0.8 |
0.930 |
2 |
0 |
0 |
0.030 |
39 |
54 |
|
[PO4]D:804 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11154 |
39.5 |
-0.7 |
0.930 |
2 |
0 |
0 |
0.028 |
40 |
55 |
|
[PO4]A:801 |
3 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10782 |
39.5 |
-0.8 |
0.931 |
2 |
0 |
0 |
0.029 |
41 |
56 |
|
[PO4]E:805 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10719 |
39.4 |
-0.7 |
0.930 |
2 |
0 |
0 |
0.027 |
42 |
57 |
|
[PO4]F:806 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10880 |
38.6 |
-0.7 |
0.933 |
2 |
0 |
0 |
0.028 |
43 |
58 |
|
[GOL]B:1014 |
3 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
10593 |
28.7 |
0.2 |
0.676 |
1 |
0 |
0 |
0.005 |
44 |
59 |
|
[TDR]D:904 |
4 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11154 |
18.8 |
0.0 |
0.440 |
0 |
0 |
0 |
0.005 |
60 |
|
[TDR]B:902 |
5 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
10593 |
18.0 |
-0.0 |
0.419 |
0 |
0 |
0 |
0.005 |
61 |
|
[TDR]F:906 |
4 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10880 |
17.4 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.005 |
62 |
|
[TDR]E:905 |
5 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10719 |
17.2 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.005 |
63 |
|
[TDR]A:901 |
3 |
1 |
261 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10782 |
15.6 |
-0.1 |
0.337 |
0 |
0 |
0 |
0.005 |
64 |
|
[TDR]C:903 |
3 |
1 |
262 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10963 |
15.0 |
-0.2 |
0.337 |
0 |
0 |
0 |
0.005 |
Average: |
17.0 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.005 |
45 |
65 |
|
D |
2 |
1 |
10593 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
10719 |
15.1 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
[TDR]A:901 |
2 |
1 |
261 |
f |
[PO4]A:801 |
x,y,z |
1_555 |
3 |
1 |
189 |
9.9 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.008 |
47 |
67 |
|
[TDR]F:906 |
2 |
1 |
261 |
f |
[PO4]F:806 |
x,y,z |
1_555 |
3 |
1 |
188 |
9.6 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.007 |
48 |
68 |
|
[TDR]B:902 |
2 |
1 |
262 |
f |
[PO4]B:802 |
x,y,z |
1_555 |
2 |
1 |
188 |
9.2 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.008 |
69 |
|
[TDR]C:903 |
2 |
1 |
262 |
f |
[PO4]C:803 |
x,y,z |
1_555 |
2 |
1 |
187 |
8.7 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.008 |
Average: |
8.9 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.008 |
49 |
70 |
|
[TDR]E:905 |
2 |
1 |
260 |
f |
[PO4]E:805 |
x,y,z |
1_555 |
3 |
1 |
187 |
9.2 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.007 |
50 |
71 |
|
[TDR]D:904 |
2 |
1 |
263 |
f |
[PO4]D:804 |
x,y,z |
1_555 |
2 |
1 |
188 |
8.8 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.007 |
51 |
72 |
|
[GOL]B:1014 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10719 |
5.2 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
52 |
73 |
|
[1PE]B:1001 |
1 |
1 |
479 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
10963 |
5.1 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
53 |
74 |
|
B |
1 |
1 |
11154 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
10719 |
0.5 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|