## |
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 |
|
C |
625 |
163 |
22096 |
◊ |
A |
x,y,z |
1_555 |
480 |
88 |
10797 |
5431.7 |
-53.3 |
0.533 |
81 |
23 |
0 |
0.825 |
2 |
|
D |
608 |
160 |
22063 |
◊ |
B |
x,y,z |
1_555 |
502 |
90 |
10742 |
5408.8 |
-54.4 |
0.453 |
71 |
20 |
0 |
0.825 |
Average: |
5420.3 |
-53.8 |
0.493 |
76 |
22 |
0 |
0.825 |
2 |
3 |
|
B |
57 |
20 |
10742 |
◊ |
A |
x,y,z |
1_555 |
54 |
20 |
10797 |
594.6 |
-2.6 |
0.824 |
6 |
5 |
0 |
0.025 |
3 |
4 |
|
C |
65 |
18 |
22096 |
◊ |
C |
y,x,-z |
7_555 |
64 |
18 |
22096 |
514.2 |
-2.9 |
0.624 |
8 |
2 |
0 |
0.000 |
4 |
5 |
|
D |
47 |
16 |
22063 |
x |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
62 |
17 |
22063 |
485.7 |
-3.5 |
0.477 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[HEM]B:580 |
43 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
56 |
23 |
22063 |
455.4 |
-12.3 |
0.857 |
2 |
0 |
0 |
0.216 |
7 |
|
[HEM]A:580 |
39 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
62 |
24 |
22096 |
446.6 |
-14.1 |
0.748 |
4 |
0 |
0 |
0.216 |
Average: |
451.0 |
-13.2 |
0.802 |
3 |
0 |
0 |
0.216 |
6 |
8 |
|
D |
38 |
13 |
22063 |
◊ |
C |
x,y,z |
1_555 |
29 |
13 |
22096 |
315.3 |
-5.2 |
0.188 |
4 |
1 |
1 |
0.047 |
7 |
9 |
|
C |
30 |
11 |
22096 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
10742 |
239.6 |
-0.6 |
0.631 |
2 |
0 |
0 |
0.011 |
10 |
|
D |
31 |
11 |
22063 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
10797 |
217.2 |
-0.6 |
0.554 |
1 |
0 |
0 |
0.011 |
Average: |
228.4 |
-0.6 |
0.593 |
2 |
0 |
0 |
0.011 |
8 |
11 |
|
[HEM]A:580 |
28 |
1 |
816 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
10797 |
225.7 |
-7.4 |
0.891 |
3 |
0 |
0 |
0.077 |
12 |
|
[HEM]B:580 |
28 |
1 |
819 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
10742 |
223.7 |
-6.9 |
0.903 |
3 |
0 |
0 |
0.077 |
Average: |
224.7 |
-7.2 |
0.897 |
3 |
0 |
0 |
0.077 |
9 |
13 |
|
B |
17 |
7 |
10742 |
◊ |
C |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
22 |
8 |
22096 |
178.8 |
-2.1 |
0.464 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
C |
28 |
8 |
22096 |
◊ |
D |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
16 |
9 |
22063 |
170.8 |
-0.4 |
0.670 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[NAG]B:584 |
12 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
20 |
9 |
22063 |
159.1 |
3.4 |
0.391 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:584 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
16 |
8 |
22096 |
158.3 |
3.2 |
0.345 |
1 |
0 |
0 |
0.000 |
Average: |
158.7 |
3.3 |
0.368 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
20 |
7 |
22063 |
◊ |
C |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
13 |
5 |
22096 |
150.9 |
-0.2 |
0.591 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[NAG]A:586 |
11 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
22096 |
118.9 |
2.5 |
0.290 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[NAG]B:586 |
12 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
15 |
6 |
22063 |
116.8 |
2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]A:583 |
11 |
1 |
366 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
22063 |
109.4 |
1.3 |
0.250 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[NAG]B:583 |
11 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
22096 |
108.0 |
1.2 |
0.205 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[NAG]B:582 |
11 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
22063 |
92.0 |
2.6 |
0.294 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[NAG]A:582 |
11 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
22096 |
81.4 |
2.5 |
0.261 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[NAG]A:585 |
9 |
1 |
361 |
cf |
[NAG]A:584 |
x,y,z |
1_555 |
7 |
1 |
359 |
73.6 |
1.9 |
0.083 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[NAG]B:585 |
8 |
1 |
353 |
cf |
[NAG]B:584 |
x,y,z |
1_555 |
6 |
1 |
359 |
72.3 |
1.8 |
0.126 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[NAG]B:587 |
8 |
1 |
362 |
cf |
[NAG]B:586 |
x,y,z |
1_555 |
6 |
1 |
354 |
70.8 |
2.1 |
0.121 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[NAG]A:583 |
7 |
1 |
366 |
cf |
[NAG]A:582 |
x,y,z |
1_555 |
6 |
1 |
363 |
70.6 |
1.5 |
0.120 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[NAG]B:583 |
6 |
1 |
364 |
cf |
[NAG]B:582 |
x,y,z |
1_555 |
6 |
1 |
363 |
68.2 |
1.8 |
0.129 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[NAG]A:587 |
4 |
1 |
353 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
22096 |
60.5 |
1.4 |
0.478 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[NAG]A:587 |
6 |
1 |
353 |
cf |
[NAG]A:586 |
x,y,z |
1_555 |
6 |
1 |
354 |
59.7 |
1.6 |
0.100 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[NAG]A:582 |
7 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
22063 |
49.2 |
-0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[NAG]B:582 |
7 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
22096 |
45.4 |
0.1 |
0.176 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
B |
4 |
1 |
10742 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
2 |
22063 |
43.2 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
D |
5 |
2 |
22063 |
◊ |
[NAG]B:587 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
362 |
38.8 |
1.5 |
0.802 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[CA]B:581 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
22063 |
32.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.129 |
36 |
|
[CA]A:581 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
22096 |
30.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
31.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.129 |
31 |
37 |
|
[NAG]B:583 |
3 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10797 |
30.7 |
0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[NAG]A:583 |
2 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10742 |
29.0 |
0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[NAG]B:585 |
3 |
1 |
353 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
22063 |
27.7 |
0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[CA]A:581 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10797 |
27.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.042 |
41 |
|
[CA]B:581 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10742 |
26.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
26.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.042 |
35 |
42 |
|
[NAG]A:583 |
3 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22096 |
26.7 |
0.7 |
0.436 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
C |
3 |
2 |
22096 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
2 |
22096 |
25.1 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[NAG]B:583 |
3 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
22063 |
24.5 |
0.7 |
0.332 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
D |
3 |
1 |
22063 |
◊ |
[NAG]B:586 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
354 |
19.4 |
0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[NAG]A:585 |
2 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
22096 |
19.3 |
0.6 |
0.438 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
C |
2 |
1 |
22096 |
◊ |
A |
y,x,-z |
7_555 |
1 |
1 |
10797 |
14.8 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[NAG]B:587 |
2 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
22063 |
6.9 |
0.3 |
0.391 |
0 |
0 |
0 |
0.000 |
|