## |
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 |
263 |
67 |
14714 |
◊ |
A |
x,y,z |
1_555 |
268 |
67 |
15044 |
2415.8 |
-24.8 |
0.140 |
41 |
21 |
0 |
0.337 |
2 |
2 |
|
A |
47 |
14 |
15044 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
48 |
14 |
15044 |
470.7 |
-2.1 |
0.563 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
[NAD]B:401 |
38 |
1 |
806 |
f |
B |
x,y,z |
1_555 |
61 |
31 |
14714 |
449.7 |
-4.3 |
0.544 |
7 |
0 |
0 |
0.132 |
4 |
|
[NAD]A:402 |
37 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
60 |
29 |
15044 |
422.5 |
-4.1 |
0.515 |
7 |
0 |
0 |
0.132 |
Average: |
436.1 |
-4.2 |
0.530 |
7 |
0 |
0 |
0.132 |
4 |
5 |
|
A |
32 |
12 |
15044 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
37 |
9 |
14714 |
292.2 |
-3.3 |
0.354 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
A |
28 |
8 |
15044 |
x |
A |
x-1,y,z |
1_455 |
34 |
11 |
15044 |
263.6 |
-0.8 |
0.575 |
1 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
31 |
9 |
15044 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
38 |
10 |
15044 |
254.0 |
-0.8 |
0.623 |
3 |
3 |
0 |
0.000 |
7 |
8 |
|
A |
16 |
5 |
15044 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
16 |
5 |
15044 |
160.9 |
-1.5 |
0.430 |
2 |
2 |
0 |
0.000 |
8 |
9 |
|
B |
19 |
6 |
14714 |
x |
B |
x-1,y,z |
1_455 |
15 |
5 |
14714 |
159.1 |
-2.9 |
0.213 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
22 |
9 |
14714 |
◊ |
B |
x,-y-1,-z |
4_545 |
22 |
9 |
14714 |
156.4 |
2.4 |
0.904 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAD]B:401 |
18 |
1 |
806 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
15044 |
156.3 |
-2.7 |
0.343 |
1 |
0 |
0 |
0.043 |
12 |
|
[NAD]A:402 |
17 |
1 |
808 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
14714 |
142.1 |
-2.4 |
0.328 |
1 |
0 |
0 |
0.043 |
Average: |
149.2 |
-2.5 |
0.335 |
1 |
0 |
0 |
0.043 |
11 |
13 |
|
[IPM]A:401 |
12 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
15044 |
137.0 |
2.8 |
0.516 |
7 |
0 |
0 |
0.004 |
14 |
|
[IPM]A:415 |
11 |
1 |
319 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
14714 |
136.9 |
3.0 |
0.569 |
7 |
0 |
0 |
0.004 |
Average: |
137.0 |
2.9 |
0.542 |
7 |
0 |
0 |
0.004 |
12 |
15 |
|
B |
15 |
5 |
14714 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
14714 |
125.4 |
-0.9 |
0.535 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[EOH]A:413 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
15044 |
113.8 |
3.8 |
0.430 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EOH]A:411 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
15044 |
113.6 |
3.5 |
0.458 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[EOH]A:407 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
15044 |
113.1 |
4.3 |
0.600 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[EOH]B:403 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
14714 |
112.7 |
3.3 |
0.447 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[GOL]A:408 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
15044 |
112.2 |
0.7 |
0.640 |
4 |
0 |
0 |
0.009 |
18 |
21 |
|
A |
16 |
7 |
15044 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
17 |
7 |
14714 |
105.2 |
-0.3 |
0.612 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[EOH]A:406 |
3 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
15044 |
100.1 |
4.2 |
0.457 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[GOL]A:409 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15044 |
91.9 |
-0.8 |
0.447 |
1 |
0 |
0 |
0.011 |
21 |
24 |
|
[GOL]A:414 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15044 |
87.1 |
-0.8 |
0.503 |
0 |
0 |
0 |
0.007 |
22 |
25 |
|
B |
7 |
4 |
14714 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
14 |
5 |
15044 |
86.9 |
1.3 |
0.832 |
0 |
1 |
0 |
0.000 |
23 |
26 |
|
A |
9 |
5 |
15044 |
f |
[EOH]A:412 |
x-1,y,z |
1_455 |
3 |
1 |
172 |
73.7 |
2.2 |
0.124 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[IPM]A:415 |
8 |
1 |
319 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15044 |
69.9 |
0.8 |
0.474 |
2 |
0 |
0 |
0.000 |
28 |
|
[IPM]A:401 |
7 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14714 |
65.3 |
1.2 |
0.568 |
2 |
0 |
0 |
0.000 |
Average: |
67.6 |
1.0 |
0.521 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[K]A:404 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15044 |
68.2 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.351 |
26 |
30 |
|
[EOH]A:412 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15044 |
66.1 |
3.1 |
0.179 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[GOL]A:410 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15044 |
62.3 |
-0.7 |
0.430 |
0 |
0 |
0 |
0.007 |
28 |
32 |
|
[EOH]B:402 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14714 |
59.8 |
1.7 |
0.127 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
B |
8 |
5 |
14714 |
◊ |
[K]A:404 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
216 |
59.0 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.253 |
30 |
34 |
|
[NAD]B:401 |
9 |
1 |
806 |
f |
[IPM]A:415 |
x,y,z |
1_555 |
7 |
1 |
319 |
58.6 |
0.5 |
0.493 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAD]A:402 |
11 |
1 |
808 |
f |
[IPM]A:401 |
x,y,z |
1_555 |
7 |
1 |
322 |
57.2 |
0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
57.9 |
0.5 |
0.493 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[EOH]B:402 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15044 |
54.7 |
1.8 |
0.135 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[GOL]A:414 |
4 |
1 |
219 |
f |
[K]A:404 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.7 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.189 |
33 |
38 |
|
B |
9 |
3 |
14714 |
◊ |
[GOL]A:410 |
x-1/2,y-1/2,z |
5_445 |
6 |
1 |
220 |
45.3 |
0.7 |
0.753 |
2 |
0 |
0 |
0.002 |
34 |
39 |
|
[GOL]A:414 |
4 |
1 |
219 |
f |
[GOL]A:410 |
x,y,z |
1_555 |
4 |
1 |
220 |
43.5 |
0.4 |
0.656 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[GOL]A:410 |
4 |
1 |
220 |
f |
[K]A:404 |
x,y,z |
1_555 |
1 |
1 |
216 |
40.7 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.170 |
36 |
41 |
|
[MN]A:405 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14714 |
40.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
42 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15044 |
39.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
39.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
37 |
43 |
|
[GOL]A:408 |
3 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14714 |
39.6 |
-0.1 |
0.515 |
1 |
0 |
0 |
0.004 |
38 |
44 |
|
B |
9 |
3 |
14714 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
4 |
2 |
15044 |
37.6 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[GOL]A:408 |
4 |
1 |
222 |
f |
[NAD]A:402 |
x,y,z |
1_555 |
4 |
1 |
808 |
36.7 |
-0.3 |
0.532 |
2 |
0 |
0 |
0.011 |
40 |
46 |
|
[EOH]B:402 |
2 |
1 |
173 |
f |
[NAD]A:402 |
x,y,z |
1_555 |
9 |
1 |
808 |
34.7 |
0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
[IPM]A:401 |
x,y,z |
1_555 |
5 |
1 |
322 |
30.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
48 |
|
[MN]A:405 |
1 |
1 |
123 |
cf |
[IPM]A:415 |
x,y,z |
1_555 |
5 |
1 |
319 |
30.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
30.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.025 |
42 |
49 |
|
[MN]A:405 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15044 |
28.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
50 |
|
[MN]A:403 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14714 |
27.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
27.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
51 |
|
[GOL]A:410 |
4 |
1 |
220 |
f |
[GOL]A:409 |
x,y,z |
1_555 |
3 |
1 |
222 |
27.4 |
0.5 |
0.698 |
1 |
0 |
0 |
0.000 |
44 |
52 |
|
[MN]A:405 |
1 |
1 |
123 |
f |
[NAD]B:401 |
x,y,z |
1_555 |
2 |
1 |
806 |
15.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
53 |
|
[MN]A:403 |
1 |
1 |
123 |
f |
[NAD]A:402 |
x,y,z |
1_555 |
2 |
1 |
808 |
14.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
14.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
45 |
54 |
|
[GOL]A:414 |
1 |
1 |
219 |
f |
[GOL]A:409 |
x,y,z |
1_555 |
2 |
1 |
222 |
9.8 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
[EOH]A:413 |
2 |
1 |
172 |
f |
[EOH]A:406 |
x,y,z |
1_555 |
1 |
1 |
174 |
6.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[EOH]A:413 |
1 |
1 |
172 |
f |
[EOH]A:411 |
x,y,z |
1_555 |
1 |
1 |
171 |
4.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
B |
2 |
2 |
14714 |
◊ |
[GOL]A:414 |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
219 |
1.4 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|