| ## |
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 |
277 |
73 |
23755 |
◊ |
A |
x,y,z |
1_555 |
280 |
73 |
23840 |
2522.1 |
-19.1 |
0.393 |
44 |
2 |
0 |
1.000 |
| 2 |
2 |
|
[HEM]A:602 |
42 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
73 |
27 |
23840 |
588.4 |
-19.3 |
0.585 |
5 |
0 |
0 |
1.000 |
3 |
|
[HEM]B:602 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
74 |
27 |
23755 |
585.6 |
-20.0 |
0.503 |
4 |
0 |
0 |
1.000 |
| Average: |
587.0 |
-19.7 |
0.544 |
5 |
0 |
0 |
1.000 |
| 3 |
4 |
|
A |
56 |
19 |
23840 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
54 |
19 |
23755 |
544.4 |
-2.8 |
0.461 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[BOG]B:603 |
20 |
1 |
514 |
f |
B |
x,y,z |
1_555 |
48 |
18 |
23755 |
372.6 |
4.8 |
0.301 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[BOG]A:604 |
20 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
52 |
19 |
23840 |
366.0 |
4.5 |
0.306 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
37 |
14 |
23840 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
35 |
12 |
23755 |
307.7 |
2.0 |
0.881 |
4 |
8 |
0 |
0.000 |
| 7 |
8 |
|
B |
33 |
13 |
23755 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
37 |
16 |
23840 |
292.1 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[IBP]A:601 |
15 |
1 |
406 |
f |
A |
x,y,z |
1_555 |
41 |
20 |
23840 |
288.4 |
6.5 |
0.367 |
3 |
0 |
0 |
0.000 |
10 |
|
[IBP]B:601 |
15 |
1 |
406 |
f |
B |
x,y,z |
1_555 |
43 |
21 |
23755 |
270.8 |
6.1 |
0.369 |
3 |
0 |
0 |
0.000 |
| Average: |
279.6 |
6.3 |
0.368 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[BOG]A:603 |
19 |
1 |
509 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
35 |
9 |
23755 |
238.2 |
7.3 |
0.411 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[BOG]A:603 |
16 |
1 |
509 |
f |
A |
x,y,z |
1_555 |
26 |
7 |
23840 |
212.0 |
3.3 |
0.270 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[NAG]B:609 |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
23 |
8 |
23755 |
158.5 |
3.9 |
0.426 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NAG]A:608 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
23 |
8 |
23840 |
152.0 |
2.5 |
0.342 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NAG]B:606 |
13 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
21 |
8 |
23755 |
145.9 |
3.8 |
0.370 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:606 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
23840 |
141.1 |
3.8 |
0.353 |
1 |
0 |
0 |
0.000 |
| Average: |
143.5 |
3.8 |
0.361 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[NAG]B:604 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
23755 |
125.7 |
3.5 |
0.401 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NAG]A:605 |
11 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
23840 |
124.8 |
3.2 |
0.402 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:616 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
23840 |
114.2 |
3.5 |
0.619 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:616 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
23755 |
98.5 |
3.0 |
0.608 |
2 |
0 |
0 |
0.000 |
| Average: |
106.3 |
3.3 |
0.614 |
2 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]B:612 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23755 |
112.6 |
3.6 |
0.634 |
5 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[EDO]A:611 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
23840 |
110.9 |
3.8 |
0.689 |
6 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]B:613 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
23755 |
110.0 |
3.7 |
0.652 |
6 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:612 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
23840 |
109.2 |
3.7 |
0.661 |
6 |
0 |
0 |
0.000 |
| Average: |
109.6 |
3.7 |
0.657 |
6 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[EDO]A:614 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
23840 |
108.3 |
3.4 |
0.518 |
2 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[EDO]B:618 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
23755 |
88.3 |
2.7 |
0.640 |
2 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[NAG]A:607 |
6 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
23840 |
80.2 |
2.3 |
0.529 |
1 |
0 |
0 |
0.000 |
28 |
|
[NAG]B:607 |
6 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
23755 |
80.1 |
2.5 |
0.554 |
1 |
0 |
0 |
0.000 |
| Average: |
80.1 |
2.4 |
0.542 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]A:613 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
23755 |
77.7 |
1.2 |
0.165 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[EDO]B:615 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
23755 |
76.3 |
1.9 |
0.282 |
2 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[NAG]A:607 |
8 |
1 |
361 |
cf |
[NAG]A:606 |
x,y,z |
1_555 |
6 |
1 |
360 |
76.2 |
1.9 |
0.123 |
1 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:607 |
10 |
1 |
364 |
cf |
[NAG]B:606 |
x,y,z |
1_555 |
6 |
1 |
360 |
72.3 |
1.6 |
0.087 |
0 |
0 |
0 |
0.000 |
| Average: |
74.3 |
1.8 |
0.105 |
1 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[EDO]A:613 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23840 |
74.5 |
1.5 |
0.210 |
1 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[EDO]B:617 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
23755 |
73.5 |
2.1 |
0.856 |
2 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[NAG]B:607 |
5 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
23840 |
70.7 |
1.8 |
0.548 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:607 |
5 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
23755 |
65.9 |
1.5 |
0.467 |
0 |
0 |
0 |
0.000 |
| Average: |
68.3 |
1.7 |
0.508 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[EDO]A:615 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23840 |
65.0 |
1.2 |
0.242 |
2 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[EDO]B:614 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23755 |
64.6 |
1.1 |
0.222 |
2 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[NAG]B:605 |
9 |
1 |
363 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
6 |
1 |
364 |
64.5 |
1.3 |
0.071 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[EDO]B:614 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
23840 |
59.9 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[MAN]B:608 |
6 |
1 |
294 |
cf |
[NAG]B:607 |
x,y,z |
1_555 |
6 |
1 |
364 |
59.5 |
1.9 |
0.149 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[EDO]A:615 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
23755 |
58.6 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[NAG]A:606 |
8 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23755 |
54.5 |
0.0 |
0.097 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]B:606 |
8 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
23840 |
53.6 |
0.1 |
0.084 |
0 |
0 |
0 |
0.000 |
| Average: |
54.0 |
0.0 |
0.091 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[EDO]B:615 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
23840 |
47.6 |
0.7 |
0.558 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
[EDO]B:617 |
4 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
2 |
23840 |
46.3 |
0.8 |
0.589 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
[EDO]B:618 |
2 |
1 |
184 |
f |
[IBP]B:601 |
x,y,z |
1_555 |
4 |
1 |
406 |
26.4 |
1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[EDO]B:618 |
2 |
1 |
184 |
f |
[EDO]B:616 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.1 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
| 40 |
49 |
|
[BOG]A:604 |
2 |
1 |
506 |
f |
[IBP]A:601 |
x,y,z |
1_555 |
3 |
1 |
406 |
22.4 |
1.1 |
0.233 |
0 |
0 |
0 |
0.000 |
50 |
|
[BOG]B:603 |
2 |
1 |
514 |
f |
[IBP]B:601 |
x,y,z |
1_555 |
3 |
1 |
406 |
17.6 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
| Average: |
20.0 |
1.0 |
0.224 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[MAN]B:608 |
3 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23840 |
16.6 |
0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
[NAG]B:605 |
1 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23755 |
6.5 |
0.1 |
0.281 |
0 |
0 |
0 |
0.000 |
|