| ## |
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 |
303 |
78 |
22353 |
◊ |
B |
x,y,z |
1_555 |
303 |
78 |
22356 |
2894.4 |
-39.9 |
0.007 |
32 |
15 |
0 |
0.166 |
2 |
|
C |
297 |
78 |
22352 |
◊ |
A |
x,y,z |
1_555 |
304 |
79 |
22341 |
2876.7 |
-39.6 |
0.008 |
32 |
13 |
0 |
0.166 |
| Average: |
2885.5 |
-39.7 |
0.007 |
32 |
14 |
0 |
0.166 |
| 2 |
3 |
|
B |
121 |
37 |
22356 |
◊ |
A |
x,y,z |
1_555 |
125 |
37 |
22341 |
1245.1 |
-12.3 |
0.162 |
14 |
11 |
0 |
0.067 |
4 |
|
D |
119 |
37 |
22353 |
◊ |
C |
x,y,z |
1_555 |
117 |
37 |
22352 |
1228.8 |
-12.0 |
0.159 |
15 |
12 |
0 |
0.067 |
| Average: |
1236.9 |
-12.2 |
0.161 |
15 |
12 |
0 |
0.067 |
| 3 |
5 |
|
A |
51 |
16 |
22341 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
13 |
22356 |
359.5 |
0.7 |
0.717 |
4 |
4 |
0 |
0.002 |
| 4 |
6 |
|
[FBP]C:532 |
20 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
47 |
20 |
22352 |
318.9 |
-5.1 |
0.636 |
21 |
0 |
0 |
0.091 |
7 |
|
[FBP]A:532 |
20 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
22341 |
318.0 |
-5.1 |
0.650 |
18 |
0 |
0 |
0.091 |
8 |
|
[FBP]B:532 |
20 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
22356 |
318.0 |
-5.0 |
0.644 |
19 |
0 |
0 |
0.091 |
9 |
|
[FBP]D:532 |
20 |
1 |
470 |
f |
D |
x,y,z |
1_555 |
47 |
20 |
22353 |
317.9 |
-5.2 |
0.638 |
19 |
0 |
0 |
0.091 |
| Average: |
318.2 |
-5.1 |
0.642 |
19 |
0 |
0 |
0.091 |
| 5 |
10 |
|
C |
44 |
17 |
22352 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
34 |
13 |
22353 |
317.7 |
2.3 |
0.815 |
4 |
1 |
0 |
0.000 |
| 6 |
11 |
|
A |
33 |
12 |
22341 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
31 |
10 |
22352 |
285.5 |
-0.9 |
0.561 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[GOL]A:704 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
22341 |
166.3 |
-1.0 |
0.531 |
2 |
0 |
0 |
0.006 |
| 8 |
13 |
|
[GOL]C:706 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
22352 |
155.6 |
-0.9 |
0.528 |
3 |
0 |
0 |
0.007 |
| 9 |
14 |
|
[GOL]D:707 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
22353 |
153.6 |
-0.8 |
0.534 |
4 |
0 |
0 |
0.008 |
| 10 |
15 |
|
B |
20 |
9 |
22356 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
7 |
22352 |
134.2 |
0.9 |
0.743 |
0 |
2 |
0 |
0.000 |
| 11 |
16 |
|
[GOL]C:707 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
22352 |
132.9 |
-1.1 |
0.435 |
3 |
0 |
0 |
0.008 |
| 12 |
17 |
|
[GOL]D:706 |
6 |
1 |
224 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
22353 |
126.6 |
-0.3 |
0.583 |
3 |
0 |
0 |
0.005 |
| 13 |
18 |
|
[GOL]C:705 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
22352 |
123.5 |
-0.6 |
0.532 |
2 |
0 |
0 |
0.005 |
| 14 |
19 |
|
[GOL]A:703 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
22341 |
122.0 |
0.1 |
0.605 |
4 |
0 |
0 |
0.006 |
| 15 |
20 |
|
[GOL]B:704 |
6 |
1 |
225 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
22356 |
119.9 |
-0.2 |
0.557 |
3 |
0 |
0 |
0.005 |
| 16 |
21 |
|
[GOL]C:708 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
22352 |
118.3 |
0.9 |
0.691 |
3 |
0 |
0 |
0.001 |
| 17 |
22 |
|
[GOL]A:705 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
22341 |
116.2 |
0.4 |
0.558 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[K]D:704 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
13 |
22353 |
110.8 |
-84.7 |
0.000 |
0 |
0 |
0 |
0.564 |
24 |
|
[K]C:703 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
22352 |
110.7 |
-89.2 |
0.000 |
0 |
0 |
0 |
0.564 |
25 |
|
[K]A:701 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
13 |
22341 |
110.1 |
-85.9 |
0.000 |
0 |
0 |
0 |
0.564 |
26 |
|
[K]B:702 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
12 |
22356 |
108.6 |
-85.3 |
0.000 |
0 |
0 |
0 |
0.564 |
| Average: |
110.1 |
-86.3 |
0.000 |
0 |
0 |
0 |
0.564 |
| 19 |
27 |
|
[GOL]B:705 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
22356 |
109.0 |
1.1 |
0.639 |
3 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[GOL]D:705 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
22353 |
105.3 |
0.3 |
0.633 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[OXL]B:533 |
6 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
22356 |
104.9 |
1.5 |
0.475 |
5 |
0 |
0 |
0.004 |
30 |
|
[OXL]A:533 |
6 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
22341 |
103.4 |
1.6 |
0.476 |
5 |
0 |
0 |
0.004 |
| Average: |
104.1 |
1.5 |
0.476 |
5 |
0 |
0 |
0.004 |
| 22 |
31 |
|
A |
12 |
3 |
22341 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
5 |
22353 |
104.1 |
0.2 |
0.667 |
2 |
2 |
0 |
0.001 |
| 23 |
32 |
|
[OXL]C:533 |
6 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
22352 |
104.0 |
1.4 |
0.470 |
5 |
0 |
0 |
0.003 |
| 24 |
33 |
|
[GOL]D:708 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
22353 |
103.2 |
0.4 |
0.520 |
1 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[GOL]C:709 |
5 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
22352 |
102.3 |
0.4 |
0.590 |
2 |
0 |
0 |
0.002 |
| 26 |
35 |
|
[OXL]D:533 |
6 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
22353 |
102.0 |
1.7 |
0.552 |
5 |
0 |
0 |
0.002 |
| 27 |
36 |
|
[GOL]C:704 |
6 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
22352 |
100.1 |
0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[GOL]D:709 |
6 |
1 |
224 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
22353 |
99.0 |
-0.7 |
0.461 |
3 |
0 |
0 |
0.007 |
| 29 |
38 |
|
[GOL]A:702 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22341 |
98.1 |
0.6 |
0.662 |
1 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[GOL]B:703 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
22356 |
96.1 |
0.2 |
0.625 |
1 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[GOL]B:706 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
22356 |
94.9 |
0.3 |
0.633 |
4 |
0 |
0 |
0.005 |
| 32 |
41 |
|
[GOL]A:706 |
5 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
22341 |
92.2 |
0.2 |
0.537 |
3 |
0 |
0 |
0.004 |
| 33 |
42 |
|
A |
19 |
8 |
22341 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
14 |
7 |
22352 |
87.9 |
0.7 |
0.731 |
0 |
1 |
0 |
0.000 |
| 34 |
43 |
|
[PO4]A:534 |
5 |
1 |
192 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22341 |
75.4 |
-4.2 |
0.811 |
6 |
0 |
0 |
0.022 |
| 35 |
44 |
|
[PO4]B:534 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
22356 |
75.3 |
-3.9 |
0.831 |
3 |
0 |
0 |
0.017 |
| 36 |
45 |
|
[PO4]C:534 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
22352 |
70.8 |
-3.7 |
0.816 |
3 |
0 |
0 |
0.016 |
| 37 |
46 |
|
[PO4]D:534 |
4 |
1 |
193 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
22353 |
69.4 |
-3.8 |
0.847 |
3 |
0 |
0 |
0.017 |
| 38 |
47 |
|
[GOL]A:706 |
5 |
1 |
225 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
22356 |
69.3 |
-0.4 |
0.428 |
1 |
0 |
0 |
0.001 |
| 39 |
48 |
|
B |
3 |
1 |
22356 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
6 |
3 |
22352 |
60.0 |
0.8 |
0.842 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
D |
5 |
2 |
22353 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22341 |
47.5 |
-0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
5 |
2 |
22352 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
22356 |
46.0 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| Average: |
46.8 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
B |
5 |
3 |
22356 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
22353 |
42.6 |
0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
A |
6 |
2 |
22341 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
5 |
2 |
22353 |
37.8 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
| 43 |
53 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
22352 |
36.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
54 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
22356 |
34.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
55 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
22353 |
33.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.027 |
56 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
22341 |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
34.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| 44 |
57 |
|
A |
6 |
3 |
22341 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
2 |
22353 |
29.4 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| 45 |
58 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[OXL]A:533 |
x,y,z |
1_555 |
4 |
1 |
199 |
28.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
59 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[OXL]B:533 |
x,y,z |
1_555 |
4 |
1 |
199 |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| 46 |
60 |
|
[MG]D:604 |
1 |
1 |
98 |
f |
[OXL]D:533 |
x,y,z |
1_555 |
4 |
1 |
198 |
28.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 47 |
61 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
[OXL]C:533 |
x,y,z |
1_555 |
4 |
1 |
198 |
28.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 48 |
62 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[MG]D:604 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 49 |
63 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[OXL]D:533 |
x,y,z |
1_555 |
3 |
1 |
198 |
21.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| 50 |
64 |
|
[K]A:701 |
1 |
1 |
216 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 51 |
65 |
|
[K]A:701 |
1 |
1 |
216 |
f |
[OXL]A:533 |
x,y,z |
1_555 |
1 |
1 |
199 |
20.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.055 |
66 |
|
[K]B:702 |
1 |
1 |
216 |
f |
[OXL]B:533 |
x,y,z |
1_555 |
1 |
1 |
199 |
17.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
19.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.055 |
| 52 |
67 |
|
[K]B:702 |
1 |
1 |
216 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 53 |
68 |
|
[K]C:703 |
1 |
1 |
216 |
f |
[MG]C:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| 54 |
69 |
|
[K]C:703 |
1 |
1 |
216 |
f |
[OXL]C:533 |
x,y,z |
1_555 |
2 |
1 |
198 |
16.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 55 |
70 |
|
[K]B:702 |
1 |
1 |
216 |
f |
[PO4]B:534 |
x,y,z |
1_555 |
3 |
1 |
191 |
11.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 56 |
71 |
|
[K]A:701 |
1 |
1 |
216 |
f |
[PO4]A:534 |
x,y,z |
1_555 |
1 |
1 |
192 |
6.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 57 |
72 |
|
[K]D:704 |
1 |
1 |
216 |
f |
[PO4]D:534 |
x,y,z |
1_555 |
2 |
1 |
193 |
4.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 58 |
73 |
|
A |
1 |
1 |
22341 |
◊ |
[FBP]C:532 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
471 |
3.2 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
| 59 |
74 |
|
[K]C:703 |
1 |
1 |
216 |
f |
[PO4]C:534 |
x,y,z |
1_555 |
1 |
1 |
192 |
3.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.005 |
|