| ## |
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 |
242 |
65 |
16560 |
◊ |
A |
x,y,z |
1_555 |
251 |
67 |
16275 |
2451.2 |
-45.6 |
0.000 |
22 |
0 |
0 |
0.366 |
2 |
|
D |
249 |
65 |
16424 |
◊ |
C |
x,y,z |
1_555 |
246 |
65 |
16330 |
2416.7 |
-45.5 |
0.000 |
21 |
1 |
0 |
0.366 |
| Average: |
2434.0 |
-45.5 |
0.000 |
22 |
1 |
0 |
0.366 |
| 2 |
3 |
|
D |
114 |
27 |
16424 |
◊ |
B |
x,y,z |
1_555 |
112 |
29 |
16560 |
1082.8 |
-15.5 |
0.038 |
12 |
4 |
0 |
0.090 |
4 |
|
C |
109 |
27 |
16330 |
◊ |
A |
x,y,z |
1_555 |
112 |
28 |
16275 |
1026.1 |
-15.6 |
0.034 |
10 |
4 |
0 |
0.090 |
| Average: |
1054.4 |
-15.6 |
0.036 |
11 |
4 |
0 |
0.090 |
| 3 |
5 |
|
[NAD]B:396 |
43 |
1 |
839 |
f |
B |
x,y,z |
1_555 |
83 |
37 |
16560 |
587.5 |
-6.9 |
0.479 |
13 |
0 |
0 |
0.177 |
6 |
|
[NAD]A:396 |
44 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
84 |
36 |
16275 |
578.6 |
-7.4 |
0.445 |
15 |
0 |
0 |
0.177 |
7 |
|
[NAD]D:396 |
43 |
1 |
842 |
f |
D |
x,y,z |
1_555 |
81 |
37 |
16424 |
570.6 |
-6.9 |
0.483 |
16 |
0 |
0 |
0.177 |
8 |
|
[NAD]C:396 |
43 |
1 |
840 |
f |
C |
x,y,z |
1_555 |
83 |
37 |
16330 |
568.7 |
-7.0 |
0.462 |
13 |
0 |
0 |
0.177 |
| Average: |
576.3 |
-7.0 |
0.467 |
14 |
0 |
0 |
0.177 |
| 4 |
9 |
|
B |
52 |
18 |
16560 |
x |
B |
-x,y-1/2,-z |
2_545 |
48 |
17 |
16560 |
400.3 |
0.6 |
0.730 |
5 |
2 |
0 |
0.000 |
| 5 |
10 |
|
C |
38 |
15 |
16330 |
◊ |
D |
x,y-1,z |
1_545 |
35 |
13 |
16424 |
312.0 |
2.8 |
0.870 |
3 |
1 |
0 |
0.000 |
| 6 |
11 |
|
C |
32 |
9 |
16330 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
9 |
16424 |
274.5 |
-0.3 |
0.545 |
2 |
1 |
0 |
0.003 |
| 7 |
12 |
|
D |
31 |
11 |
16424 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
31 |
8 |
16424 |
272.3 |
1.1 |
0.735 |
3 |
2 |
0 |
0.000 |
| 8 |
13 |
|
D |
28 |
8 |
16424 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
16275 |
228.7 |
2.0 |
0.831 |
4 |
7 |
0 |
0.002 |
14 |
|
C |
24 |
7 |
16330 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
16560 |
216.5 |
1.9 |
0.810 |
3 |
4 |
0 |
0.002 |
| Average: |
222.6 |
2.0 |
0.820 |
4 |
6 |
0 |
0.002 |
| 9 |
15 |
|
A |
30 |
7 |
16275 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
32 |
8 |
16275 |
207.7 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
25 |
5 |
16330 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
26 |
8 |
16330 |
203.3 |
0.2 |
0.676 |
1 |
6 |
0 |
0.000 |
| 11 |
17 |
|
C |
18 |
6 |
16330 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
13 |
3 |
16424 |
120.4 |
-1.2 |
0.419 |
0 |
0 |
0 |
0.002 |
| 12 |
18 |
|
[PO4]C:395 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
16330 |
117.4 |
-6.9 |
0.779 |
8 |
0 |
0 |
0.044 |
| 13 |
19 |
|
[GOL]B:397 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
16560 |
115.8 |
0.8 |
0.700 |
4 |
0 |
0 |
0.006 |
| 14 |
20 |
|
[GOL]A:397 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16275 |
115.3 |
0.8 |
0.721 |
3 |
0 |
0 |
0.004 |
| 15 |
21 |
|
[K]C:398 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
16330 |
109.9 |
-72.4 |
0.000 |
0 |
0 |
0 |
0.375 |
22 |
|
[K]D:397 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
16424 |
105.4 |
-74.0 |
0.000 |
0 |
0 |
0 |
0.375 |
| Average: |
107.6 |
-73.2 |
0.000 |
0 |
0 |
0 |
0.375 |
| 16 |
23 |
|
[PO4]D:395 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
16424 |
105.4 |
-7.4 |
0.768 |
7 |
0 |
0 |
0.044 |
| 17 |
24 |
|
[PO4]B:395 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
16560 |
101.5 |
-6.5 |
0.754 |
8 |
0 |
0 |
0.067 |
| 18 |
25 |
|
[SO4]C:393 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
16330 |
92.4 |
-12.6 |
0.848 |
3 |
0 |
0 |
0.059 |
| 19 |
26 |
|
[PO4]A:395 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16275 |
90.7 |
-6.4 |
0.733 |
7 |
0 |
0 |
0.063 |
| 20 |
27 |
|
[SO4]B:394 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16560 |
88.9 |
-12.5 |
0.847 |
5 |
0 |
0 |
0.098 |
| 21 |
28 |
|
[SO4]C:397 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16330 |
87.5 |
-13.1 |
0.693 |
3 |
0 |
0 |
0.061 |
| 22 |
29 |
|
[SO4]D:393 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
16424 |
86.7 |
-12.9 |
0.645 |
3 |
0 |
0 |
0.060 |
| 23 |
30 |
|
[SO4]A:393 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16275 |
81.5 |
-11.9 |
0.810 |
4 |
0 |
0 |
0.091 |
| 24 |
31 |
|
[SO4]D:394 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
16424 |
80.1 |
-12.7 |
0.717 |
3 |
0 |
0 |
0.059 |
| 25 |
32 |
|
[SO4]B:393 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16560 |
80.0 |
-12.0 |
0.727 |
2 |
0 |
0 |
0.085 |
| 26 |
33 |
|
[SO4]C:394 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
16560 |
76.1 |
-10.7 |
0.782 |
2 |
0 |
0 |
0.038 |
| 27 |
34 |
|
[SO4]C:394 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16330 |
74.0 |
-10.5 |
0.723 |
4 |
0 |
0 |
0.052 |
| 28 |
35 |
|
[K]C:398 |
1 |
1 |
216 |
f |
[NAD]C:396 |
x,y,z |
1_555 |
12 |
1 |
840 |
68.3 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.179 |
36 |
|
[K]D:397 |
1 |
1 |
216 |
f |
[NAD]D:396 |
x,y,z |
1_555 |
12 |
1 |
842 |
67.8 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.179 |
| Average: |
68.0 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.179 |
| 29 |
37 |
|
[SO4]C:393 |
4 |
1 |
186 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
3 |
16424 |
65.2 |
-6.8 |
0.958 |
3 |
0 |
0 |
0.016 |
| 30 |
38 |
|
C |
9 |
3 |
16330 |
◊ |
[SO4]D:394 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
186 |
62.8 |
-9.3 |
0.554 |
1 |
0 |
0 |
0.019 |
| 31 |
39 |
|
[K]A:394 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
16330 |
60.6 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.215 |
40 |
|
[K]A:394 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
16560 |
56.7 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
58.7 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.215 |
| 32 |
41 |
|
B |
12 |
6 |
16560 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
6 |
16275 |
59.4 |
0.6 |
0.737 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[GOL]B:397 |
4 |
1 |
215 |
f |
[NAD]B:396 |
x,y,z |
1_555 |
10 |
1 |
839 |
51.4 |
-0.8 |
0.553 |
0 |
0 |
0 |
0.005 |
| 34 |
43 |
|
[GOL]A:397 |
5 |
1 |
219 |
f |
[NAD]A:396 |
x,y,z |
1_555 |
11 |
1 |
835 |
48.7 |
-0.8 |
0.544 |
0 |
0 |
0 |
0.005 |
| 35 |
44 |
|
B |
4 |
2 |
16560 |
◊ |
[SO4]B:393 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
48.1 |
-4.5 |
0.961 |
2 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[K]A:394 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
16275 |
44.9 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.060 |
46 |
|
[K]A:394 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
16424 |
41.2 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
43.1 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.060 |
| 37 |
47 |
|
B |
4 |
2 |
16560 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
16424 |
38.3 |
0.5 |
0.615 |
0 |
0 |
0 |
0.000 |
| 38 |
48 |
|
C |
3 |
2 |
16330 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16560 |
27.9 |
1.3 |
0.877 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
[GOL]A:397 |
2 |
1 |
219 |
f |
[PO4]A:395 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.8 |
-1.4 |
0.753 |
1 |
0 |
0 |
0.012 |
| 40 |
50 |
|
[NAD]C:396 |
3 |
1 |
840 |
f |
[PO4]C:395 |
x,y,z |
1_555 |
4 |
1 |
187 |
21.0 |
-1.3 |
0.693 |
0 |
0 |
0 |
0.005 |
| 41 |
51 |
|
[NAD]B:396 |
3 |
1 |
839 |
f |
[PO4]B:395 |
x,y,z |
1_555 |
2 |
1 |
187 |
20.7 |
-1.4 |
0.649 |
0 |
0 |
0 |
0.009 |
| 42 |
52 |
|
[NAD]D:396 |
3 |
1 |
842 |
f |
[PO4]D:395 |
x,y,z |
1_555 |
3 |
1 |
188 |
19.6 |
-1.4 |
0.668 |
0 |
0 |
0 |
0.006 |
| 43 |
53 |
|
[NAD]A:396 |
3 |
1 |
835 |
f |
[PO4]A:395 |
x,y,z |
1_555 |
4 |
1 |
187 |
19.3 |
-1.1 |
0.678 |
0 |
0 |
0 |
0.007 |
| 44 |
54 |
|
C |
2 |
1 |
16330 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16275 |
19.2 |
0.7 |
0.913 |
1 |
1 |
0 |
0.000 |
| 45 |
55 |
|
[GOL]B:397 |
4 |
1 |
215 |
f |
[PO4]B:395 |
x,y,z |
1_555 |
4 |
1 |
187 |
17.4 |
-0.8 |
0.803 |
0 |
0 |
0 |
0.005 |
| 46 |
56 |
|
B |
3 |
2 |
16560 |
◊ |
[SO4]B:394 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
186 |
16.1 |
-1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
| 47 |
57 |
|
B |
1 |
1 |
16560 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16275 |
4.3 |
0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
| 48 |
58 |
|
C |
1 |
1 |
16330 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
16275 |
2.4 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
|