## |
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 |
159 |
38 |
19603 |
◊ |
A |
x,y,z |
1_555 |
150 |
38 |
19481 |
1331.5 |
-9.6 |
0.370 |
30 |
5 |
0 |
0.258 |
2 |
2 |
|
B |
61 |
19 |
19603 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
64 |
20 |
19481 |
511.4 |
3.9 |
0.953 |
9 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
31 |
11 |
19481 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
30 |
12 |
19603 |
295.4 |
-2.4 |
0.389 |
5 |
1 |
0 |
0.000 |
4 |
4 |
|
[TYP]A:1508 |
19 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
19481 |
286.0 |
-2.3 |
0.333 |
2 |
0 |
0 |
0.070 |
5 |
|
[TYP]B:1507 |
19 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
43 |
15 |
19603 |
274.8 |
-2.3 |
0.368 |
2 |
0 |
0 |
0.070 |
Average: |
280.4 |
-2.3 |
0.350 |
2 |
0 |
0 |
0.070 |
5 |
6 |
|
B |
25 |
10 |
19603 |
x |
B |
x-1,y,z |
1_455 |
39 |
12 |
19603 |
278.6 |
-2.2 |
0.430 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
27 |
8 |
19481 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
26 |
10 |
19481 |
273.8 |
-3.3 |
0.229 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[TYP]B:1506 |
19 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
19603 |
267.5 |
-0.7 |
0.526 |
3 |
0 |
0 |
0.045 |
9 |
|
[TYP]A:1507 |
19 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
19481 |
265.9 |
-0.8 |
0.524 |
3 |
0 |
0 |
0.045 |
Average: |
266.7 |
-0.7 |
0.525 |
3 |
0 |
0 |
0.045 |
8 |
10 |
|
[TYP]A:1509 |
18 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
19481 |
249.3 |
-0.8 |
0.441 |
0 |
0 |
0 |
0.013 |
11 |
|
[TYP]B:1508 |
18 |
1 |
428 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
19603 |
246.7 |
-0.4 |
0.470 |
0 |
0 |
0 |
0.013 |
Average: |
248.0 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.013 |
9 |
12 |
|
B |
24 |
8 |
19603 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
8 |
19603 |
230.9 |
-2.5 |
0.256 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[TYP]B:1509 |
18 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
19603 |
206.2 |
0.6 |
0.653 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
A |
19 |
8 |
19481 |
x |
A |
x-1,y,z |
1_455 |
17 |
5 |
19481 |
160.8 |
-0.4 |
0.589 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[TYP]B:1509 |
17 |
1 |
438 |
f |
B |
x-1,y,z |
1_455 |
17 |
7 |
19603 |
144.5 |
-0.5 |
0.506 |
2 |
0 |
0 |
0.015 |
13 |
16 |
|
[GOL]B:1500 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
19603 |
134.8 |
-0.4 |
0.609 |
1 |
0 |
0 |
0.009 |
14 |
17 |
|
[GOL]B:1501 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
19603 |
133.2 |
-0.9 |
0.537 |
4 |
0 |
0 |
0.029 |
15 |
18 |
|
[GOL]A:1501 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
19481 |
130.2 |
-0.8 |
0.495 |
5 |
0 |
0 |
0.033 |
16 |
19 |
|
[GOL]A:1502 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
19481 |
122.4 |
-0.2 |
0.629 |
6 |
0 |
0 |
0.031 |
17 |
20 |
|
[GOL]B:1505 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
19603 |
119.1 |
-0.3 |
0.568 |
3 |
0 |
0 |
0.018 |
18 |
21 |
|
[GOL]B:1504 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
19603 |
117.9 |
-0.4 |
0.553 |
3 |
0 |
0 |
0.019 |
19 |
22 |
|
[GOL]A:1499 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
19481 |
116.8 |
-1.0 |
0.507 |
3 |
0 |
0 |
0.025 |
20 |
23 |
|
[GOL]A:1503 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
19481 |
91.6 |
0.5 |
0.679 |
3 |
0 |
0 |
0.000 |
21 |
24 |
|
[GOL]B:1502 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
19603 |
90.2 |
-0.1 |
0.612 |
5 |
0 |
0 |
0.047 |
25 |
|
[GOL]A:1500 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19481 |
86.6 |
0.3 |
0.677 |
5 |
0 |
0 |
0.047 |
Average: |
88.4 |
0.1 |
0.645 |
5 |
0 |
0 |
0.047 |
22 |
26 |
|
[TYP]A:1509 |
8 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
19603 |
86.1 |
-2.0 |
0.222 |
0 |
0 |
0 |
0.044 |
27 |
|
[TYP]B:1508 |
8 |
1 |
428 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
19481 |
84.8 |
-2.1 |
0.198 |
0 |
0 |
0 |
0.044 |
Average: |
85.5 |
-2.0 |
0.210 |
0 |
0 |
0 |
0.044 |
23 |
28 |
|
[TYP]B:1507 |
12 |
1 |
437 |
f |
[TYP]B:1506 |
x,y,z |
1_555 |
12 |
1 |
435 |
85.0 |
-1.0 |
0.375 |
1 |
0 |
0 |
0.031 |
29 |
|
[TYP]A:1508 |
12 |
1 |
437 |
f |
[TYP]A:1507 |
x,y,z |
1_555 |
12 |
1 |
435 |
84.2 |
-0.9 |
0.366 |
1 |
0 |
0 |
0.031 |
Average: |
84.6 |
-1.0 |
0.371 |
1 |
0 |
0 |
0.031 |
24 |
30 |
|
[GOL]A:1500 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
19603 |
80.2 |
0.5 |
0.672 |
3 |
0 |
0 |
0.015 |
31 |
|
[GOL]B:1502 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
19481 |
76.5 |
0.3 |
0.716 |
2 |
0 |
0 |
0.015 |
Average: |
78.3 |
0.4 |
0.694 |
3 |
0 |
0 |
0.015 |
25 |
32 |
|
[GOL]A:1504 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
19481 |
77.7 |
-1.0 |
0.397 |
0 |
0 |
0 |
0.027 |
33 |
|
[GOL]B:1503 |
5 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19603 |
77.1 |
-1.0 |
0.373 |
1 |
0 |
0 |
0.027 |
Average: |
77.4 |
-1.0 |
0.385 |
1 |
0 |
0 |
0.027 |
26 |
34 |
|
B |
7 |
4 |
19603 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
5 |
19481 |
77.7 |
-1.2 |
0.256 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[GOL]B:1503 |
6 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
19481 |
71.9 |
-0.2 |
0.520 |
2 |
0 |
0 |
0.025 |
36 |
|
[GOL]A:1504 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
19603 |
70.8 |
-0.3 |
0.512 |
2 |
0 |
0 |
0.025 |
Average: |
71.4 |
-0.2 |
0.516 |
2 |
0 |
0 |
0.025 |
28 |
37 |
|
[SO4]A:1505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
19481 |
69.9 |
-7.9 |
0.955 |
2 |
0 |
0 |
0.095 |
29 |
38 |
|
[SO4]A:1506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19481 |
62.8 |
-8.7 |
0.710 |
2 |
0 |
0 |
0.104 |
30 |
39 |
|
B |
7 |
4 |
19603 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
19481 |
61.2 |
-0.3 |
0.456 |
1 |
0 |
0 |
0.000 |
31 |
40 |
|
B |
9 |
5 |
19603 |
◊ |
[SO4]A:1505 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
187 |
53.4 |
-6.0 |
0.915 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
A |
8 |
4 |
19481 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
5 |
19481 |
50.9 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[GOL]B:1505 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
19481 |
44.2 |
-0.7 |
0.446 |
0 |
0 |
0 |
0.008 |
34 |
43 |
|
[GOL]A:1502 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
19603 |
42.8 |
-0.9 |
0.429 |
0 |
0 |
0 |
0.010 |
35 |
44 |
|
[GOL]A:1503 |
4 |
1 |
218 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
19481 |
41.0 |
-0.9 |
0.247 |
0 |
0 |
0 |
0.009 |
36 |
45 |
|
[TYP]B:1508 |
2 |
1 |
428 |
◊ |
[TYP]B:1506 |
x,y,z |
1_555 |
5 |
1 |
435 |
34.3 |
-0.5 |
0.415 |
0 |
0 |
0 |
0.010 |
46 |
|
[TYP]A:1509 |
2 |
1 |
426 |
◊ |
[TYP]A:1507 |
x,y,z |
1_555 |
3 |
1 |
435 |
32.0 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.010 |
Average: |
33.1 |
-0.5 |
0.410 |
0 |
0 |
0 |
0.010 |
37 |
47 |
|
[GOL]B:1504 |
3 |
1 |
217 |
f |
[GOL]B:1503 |
x,y,z |
1_555 |
5 |
1 |
222 |
32.6 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.006 |
38 |
48 |
|
[GOL]A:1504 |
5 |
1 |
221 |
f |
[GOL]A:1499 |
x,y,z |
1_555 |
4 |
1 |
216 |
31.2 |
-0.4 |
0.534 |
0 |
0 |
0 |
0.004 |
39 |
49 |
|
[TYP]A:1509 |
4 |
1 |
426 |
◊ |
[GOL]A:1499 |
x,y,z |
1_555 |
3 |
1 |
216 |
21.4 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[TYP]B:1508 |
4 |
1 |
428 |
◊ |
[GOL]B:1504 |
x,y,z |
1_555 |
3 |
1 |
217 |
18.4 |
-0.2 |
0.486 |
0 |
0 |
0 |
0.002 |
41 |
51 |
|
[GOL]B:1502 |
1 |
1 |
217 |
◊ |
[GOL]A:1504 |
x,y,z |
1_555 |
2 |
1 |
221 |
9.9 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
52 |
|
[GOL]B:1503 |
2 |
1 |
222 |
◊ |
[GOL]A:1500 |
x,y,z |
1_555 |
1 |
1 |
219 |
9.8 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
Average: |
9.9 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[TYP]B:1508 |
2 |
1 |
428 |
◊ |
[GOL]B:1503 |
x,y,z |
1_555 |
1 |
1 |
222 |
7.6 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.001 |
54 |
|
[TYP]A:1509 |
2 |
1 |
426 |
◊ |
[GOL]A:1504 |
x,y,z |
1_555 |
2 |
1 |
221 |
6.6 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.001 |
Average: |
7.1 |
-0.1 |
0.506 |
0 |
0 |
0 |
0.001 |
43 |
55 |
|
[GOL]A:1499 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19603 |
6.3 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[GOL]B:1504 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19481 |
3.8 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
|