## |
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 |
294 |
76 |
20545 |
◊ |
A |
x,y,z |
1_555 |
294 |
76 |
20656 |
2861.0 |
-31.9 |
0.035 |
38 |
5 |
0 |
0.504 |
2 |
2 |
|
D |
275 |
74 |
21565 |
◊ |
C |
x,y,z |
1_555 |
281 |
76 |
20532 |
2716.8 |
-27.8 |
0.064 |
35 |
9 |
0 |
0.487 |
3 |
3 |
|
C |
179 |
48 |
20532 |
◊ |
A |
x,y,z |
1_555 |
180 |
48 |
20656 |
1665.6 |
-5.3 |
0.624 |
26 |
12 |
0 |
0.295 |
4 |
4 |
|
D |
166 |
47 |
21565 |
◊ |
B |
x,y,z |
1_555 |
168 |
44 |
20545 |
1562.5 |
-5.4 |
0.616 |
27 |
11 |
0 |
0.369 |
5 |
5 |
|
[NAD]B:503 |
42 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
71 |
31 |
20545 |
519.3 |
-5.3 |
0.499 |
16 |
0 |
0 |
0.399 |
6 |
|
[NAD]C:503 |
43 |
1 |
853 |
f |
C |
x,y,z |
1_555 |
71 |
31 |
20532 |
512.9 |
-5.5 |
0.471 |
16 |
0 |
0 |
0.399 |
7 |
|
[NAD]A:503 |
43 |
1 |
859 |
f |
A |
x,y,z |
1_555 |
70 |
31 |
20656 |
509.1 |
-5.8 |
0.424 |
15 |
0 |
0 |
0.399 |
Average: |
513.8 |
-5.5 |
0.465 |
16 |
0 |
0 |
0.399 |
6 |
8 |
|
[NAD]D:501 |
37 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
70 |
28 |
21565 |
506.3 |
-4.0 |
0.466 |
9 |
0 |
0 |
0.156 |
7 |
9 |
|
B |
50 |
19 |
20545 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
46 |
11 |
20656 |
466.1 |
-0.6 |
0.660 |
3 |
2 |
0 |
0.000 |
8 |
10 |
|
D |
47 |
12 |
21565 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
43 |
15 |
20532 |
398.6 |
-1.2 |
0.600 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
44 |
12 |
20532 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
20545 |
346.0 |
-5.1 |
0.169 |
1 |
2 |
0 |
0.025 |
10 |
12 |
|
D |
41 |
12 |
21565 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
20656 |
339.6 |
-4.6 |
0.214 |
1 |
1 |
0 |
0.022 |
11 |
13 |
|
D |
33 |
9 |
21565 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
3_456 |
38 |
11 |
20532 |
319.3 |
-1.7 |
0.501 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[ADN]B:501 |
19 |
1 |
432 |
f |
B |
x,y,z |
1_555 |
40 |
20 |
20545 |
241.5 |
0.7 |
0.396 |
9 |
0 |
0 |
0.081 |
15 |
|
[ADN]A:501 |
19 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
20656 |
241.3 |
1.8 |
0.504 |
9 |
0 |
0 |
0.081 |
16 |
|
[ADN]C:501 |
19 |
1 |
432 |
f |
C |
x,y,z |
1_555 |
43 |
20 |
20532 |
239.1 |
1.5 |
0.473 |
10 |
0 |
0 |
0.081 |
Average: |
240.6 |
1.3 |
0.458 |
9 |
0 |
0 |
0.081 |
13 |
17 |
|
B |
23 |
8 |
20545 |
x |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
28 |
8 |
20545 |
192.2 |
-1.2 |
0.506 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[NAD]D:501 |
15 |
1 |
855 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
20532 |
175.3 |
-2.1 |
0.519 |
3 |
0 |
0 |
0.065 |
19 |
|
[NAD]B:503 |
15 |
1 |
860 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20656 |
163.1 |
-1.9 |
0.497 |
3 |
0 |
0 |
0.065 |
20 |
|
[NAD]A:503 |
15 |
1 |
859 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20545 |
161.9 |
-1.9 |
0.518 |
3 |
0 |
0 |
0.065 |
Average: |
166.8 |
-1.9 |
0.511 |
3 |
0 |
0 |
0.065 |
15 |
21 |
|
[NAD]C:503 |
15 |
1 |
853 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
21565 |
164.1 |
-2.1 |
0.482 |
3 |
0 |
0 |
0.037 |
16 |
22 |
|
[GOL]D:502 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
21565 |
141.0 |
-0.3 |
0.563 |
3 |
0 |
0 |
0.032 |
17 |
23 |
|
C |
14 |
7 |
20532 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
15 |
8 |
21565 |
140.0 |
1.6 |
0.778 |
2 |
2 |
0 |
0.000 |
18 |
24 |
|
[GOL]A:505 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
20656 |
139.0 |
-0.5 |
0.577 |
3 |
0 |
0 |
0.030 |
19 |
25 |
|
[GOL]C:504 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
20532 |
137.3 |
-0.7 |
0.520 |
4 |
0 |
0 |
0.040 |
20 |
26 |
|
[GOL]B:504 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
20545 |
136.2 |
-0.5 |
0.576 |
4 |
0 |
0 |
0.044 |
21 |
27 |
|
[ACT]C:508 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
20532 |
127.3 |
-0.2 |
0.670 |
1 |
0 |
0 |
0.010 |
22 |
28 |
|
[GOL]D:503 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
21565 |
123.0 |
-0.4 |
0.544 |
3 |
0 |
0 |
0.034 |
23 |
29 |
|
A |
14 |
5 |
20656 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
14 |
5 |
20656 |
121.0 |
-0.0 |
0.639 |
2 |
0 |
0 |
0.000 |
24 |
30 |
|
[GOL]A:504 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
20656 |
116.8 |
-0.7 |
0.522 |
2 |
0 |
0 |
0.025 |
25 |
31 |
|
[GOL]C:507 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
20532 |
114.6 |
-1.0 |
0.446 |
0 |
0 |
0 |
0.016 |
26 |
32 |
|
[GOL]C:505 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
20532 |
108.8 |
-0.5 |
0.495 |
6 |
0 |
0 |
0.051 |
27 |
33 |
|
[GOL]A:506 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20656 |
108.0 |
-0.4 |
0.500 |
5 |
0 |
0 |
0.045 |
34 |
|
[GOL]B:506 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20545 |
106.9 |
-0.4 |
0.530 |
3 |
0 |
0 |
0.045 |
Average: |
107.4 |
-0.4 |
0.515 |
4 |
0 |
0 |
0.045 |
28 |
35 |
|
[GOL]D:504 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
21565 |
106.2 |
-1.0 |
0.451 |
1 |
0 |
0 |
0.027 |
29 |
36 |
|
D |
12 |
5 |
21565 |
◊ |
D |
-x+2,-y,z |
2_755 |
12 |
5 |
21565 |
104.4 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[GOL]D:505 |
6 |
1 |
219 |
f |
C |
x-1/2,-y+1/2,-z+1 |
3_456 |
17 |
4 |
20532 |
100.5 |
-0.9 |
0.465 |
1 |
0 |
0 |
0.021 |
31 |
38 |
|
B |
10 |
3 |
20545 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
3_457 |
13 |
4 |
20656 |
99.4 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[GOL]C:506 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
20532 |
98.3 |
-0.3 |
0.566 |
2 |
0 |
0 |
0.018 |
33 |
40 |
|
[GOL]B:505 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
20545 |
96.4 |
-0.3 |
0.511 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
C |
9 |
5 |
20532 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
5 |
20545 |
93.2 |
0.7 |
0.750 |
2 |
0 |
0 |
0.000 |
35 |
42 |
|
[ACT]B:509 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
20545 |
92.4 |
-0.7 |
0.631 |
0 |
0 |
0 |
0.013 |
36 |
43 |
|
[ACT]B:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20545 |
92.2 |
-1.1 |
0.571 |
1 |
0 |
0 |
0.029 |
37 |
44 |
|
A |
11 |
6 |
20656 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
9 |
3 |
20545 |
84.3 |
0.1 |
0.649 |
2 |
0 |
0 |
0.000 |
38 |
45 |
|
[GOL]B:507 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
20532 |
75.4 |
-1.0 |
0.456 |
2 |
0 |
0 |
0.030 |
39 |
46 |
|
C |
8 |
4 |
20532 |
x |
C |
x-1/2,-y+1/2,-z+1 |
3_456 |
10 |
3 |
20532 |
73.6 |
1.5 |
0.806 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
A |
10 |
3 |
20656 |
f |
[GOL]B:505 |
x-1/2,-y+1/2,-z+2 |
3_457 |
5 |
1 |
220 |
70.1 |
-0.0 |
0.546 |
2 |
0 |
0 |
0.015 |
41 |
48 |
|
A |
6 |
2 |
20656 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
3_457 |
9 |
4 |
21565 |
68.1 |
-0.5 |
0.519 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[NAD]C:503 |
10 |
1 |
853 |
f |
[ADN]C:501 |
x,y,z |
1_555 |
6 |
1 |
432 |
66.3 |
1.1 |
0.606 |
1 |
0 |
0 |
0.000 |
50 |
|
[NAD]B:503 |
11 |
1 |
860 |
f |
[ADN]B:501 |
x,y,z |
1_555 |
6 |
1 |
432 |
63.9 |
0.9 |
0.597 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAD]A:503 |
11 |
1 |
859 |
f |
[ADN]A:501 |
x,y,z |
1_555 |
6 |
1 |
433 |
62.8 |
1.0 |
0.609 |
0 |
0 |
0 |
0.000 |
Average: |
64.3 |
1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[GOL]A:504 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
20545 |
60.2 |
-1.1 |
0.338 |
0 |
0 |
0 |
0.011 |
44 |
53 |
|
[GOL]B:507 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20545 |
59.9 |
0.7 |
0.725 |
3 |
0 |
0 |
0.003 |
45 |
54 |
|
[GOL]C:506 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20545 |
58.9 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.002 |
46 |
55 |
|
[GOL]D:505 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
21565 |
58.8 |
-0.0 |
0.632 |
2 |
0 |
0 |
0.000 |
47 |
56 |
|
[GOL]B:507 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
21565 |
57.3 |
-0.3 |
0.515 |
2 |
0 |
0 |
0.013 |
48 |
57 |
|
[NH4]B:502 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
20545 |
56.3 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
58 |
|
[NH4]A:502 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
20656 |
55.8 |
0.7 |
0.768 |
0 |
0 |
0 |
0.000 |
59 |
|
[NH4]C:502 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
20532 |
55.4 |
0.8 |
0.772 |
0 |
0 |
0 |
0.000 |
Average: |
55.8 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[GOL]C:504 |
5 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
21565 |
40.2 |
0.5 |
0.756 |
1 |
0 |
0 |
0.000 |
50 |
61 |
|
[GOL]A:505 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
20545 |
37.9 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
62 |
|
[GOL]B:504 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20656 |
37.5 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
37.7 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[GOL]D:502 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
20532 |
32.8 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
[GOL]D:504 |
2 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20532 |
27.0 |
0.5 |
0.751 |
1 |
0 |
0 |
0.000 |
53 |
65 |
|
[NH4]A:502 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
20532 |
25.0 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
66 |
|
[NH4]C:502 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
20656 |
24.5 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
24.8 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
[NH4]B:502 |
1 |
1 |
117 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
21565 |
24.9 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
55 |
68 |
|
[GOL]A:504 |
2 |
1 |
220 |
f |
[NAD]A:503 |
x,y,z |
1_555 |
4 |
1 |
859 |
21.3 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
56 |
69 |
|
[NH4]A:502 |
1 |
1 |
117 |
◊ |
[ADN]A:501 |
x,y,z |
1_555 |
1 |
1 |
433 |
14.9 |
0.5 |
0.827 |
0 |
0 |
0 |
0.000 |
70 |
|
[NH4]C:502 |
1 |
1 |
117 |
◊ |
[ADN]C:501 |
x,y,z |
1_555 |
1 |
1 |
432 |
14.8 |
0.5 |
0.827 |
0 |
0 |
0 |
0.000 |
71 |
|
[NH4]B:502 |
1 |
1 |
117 |
◊ |
[ADN]B:501 |
x,y,z |
1_555 |
1 |
1 |
432 |
14.2 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.5 |
0.827 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
[GOL]C:506 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20656 |
10.2 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
58 |
73 |
|
[GOL]C:505 |
1 |
1 |
221 |
◊ |
[GOL]A:506 |
x,y,z |
1_555 |
1 |
1 |
220 |
8.6 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
[GOL]A:506 |
1 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
20532 |
8.1 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
60 |
75 |
|
[GOL]C:505 |
1 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20656 |
5.8 |
-0.0 |
0.510 |
0 |
0 |
0 |
0.000 |
61 |
76 |
|
[GOL]B:506 |
1 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
21565 |
4.8 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
62 |
77 |
|
[ACT]B:508 |
1 |
1 |
183 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
4_647 |
1 |
1 |
20656 |
0.2 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
|