## |
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 |
|
H |
416 |
111 |
21538 |
◊ |
G |
x,y,z |
1_555 |
417 |
111 |
21465 |
4038.8 |
-38.9 |
0.017 |
64 |
15 |
0 |
0.555 |
2 |
|
B |
423 |
110 |
21378 |
◊ |
A |
x,y,z |
1_555 |
416 |
107 |
21294 |
4028.7 |
-37.8 |
0.020 |
64 |
17 |
0 |
0.555 |
3 |
|
F |
404 |
109 |
21515 |
◊ |
E |
x,y,z |
1_555 |
417 |
113 |
21267 |
3990.1 |
-39.6 |
0.013 |
62 |
17 |
0 |
0.555 |
4 |
|
D |
421 |
110 |
21300 |
◊ |
C |
x,y,z |
1_555 |
415 |
107 |
21395 |
3960.7 |
-39.1 |
0.016 |
62 |
19 |
0 |
0.555 |
Average: |
4004.6 |
-38.8 |
0.017 |
63 |
17 |
0 |
0.555 |
2 |
5 |
|
G |
85 |
22 |
21465 |
◊ |
F |
x,y,z |
1_555 |
85 |
22 |
21515 |
769.1 |
-0.0 |
0.725 |
12 |
10 |
0 |
0.046 |
6 |
|
H |
86 |
22 |
21538 |
◊ |
E |
x,y,z |
1_555 |
83 |
22 |
21267 |
752.9 |
0.4 |
0.753 |
11 |
10 |
0 |
0.046 |
7 |
|
C |
84 |
22 |
21395 |
◊ |
B |
x,y,z |
1_555 |
85 |
22 |
21378 |
747.3 |
0.7 |
0.758 |
10 |
9 |
0 |
0.046 |
8 |
|
D |
82 |
22 |
21300 |
◊ |
A |
x,y,z |
1_555 |
82 |
23 |
21294 |
743.5 |
0.1 |
0.729 |
11 |
9 |
0 |
0.046 |
Average: |
753.2 |
0.3 |
0.741 |
11 |
10 |
0 |
0.046 |
3 |
9 |
|
C |
88 |
22 |
21395 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
21294 |
677.1 |
-3.1 |
0.513 |
8 |
3 |
0 |
0.058 |
10 |
|
H |
85 |
21 |
21538 |
◊ |
F |
x,y,z |
1_555 |
85 |
22 |
21515 |
663.1 |
-4.1 |
0.433 |
10 |
4 |
0 |
0.058 |
11 |
|
G |
84 |
20 |
21465 |
◊ |
E |
x,y,z |
1_555 |
84 |
20 |
21267 |
657.9 |
-3.4 |
0.488 |
7 |
4 |
0 |
0.058 |
12 |
|
D |
82 |
21 |
21300 |
◊ |
B |
x,y,z |
1_555 |
82 |
20 |
21378 |
647.0 |
-2.9 |
0.517 |
9 |
4 |
0 |
0.058 |
Average: |
661.3 |
-3.3 |
0.488 |
9 |
4 |
0 |
0.058 |
4 |
13 |
|
A |
41 |
12 |
21294 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
14 |
21300 |
379.0 |
-3.9 |
0.273 |
2 |
1 |
0 |
0.000 |
14 |
|
E |
40 |
11 |
21267 |
◊ |
H |
x-1,y,z |
1_455 |
42 |
14 |
21538 |
353.7 |
-3.5 |
0.295 |
1 |
1 |
0 |
0.000 |
Average: |
366.4 |
-3.7 |
0.284 |
2 |
1 |
0 |
0.000 |
5 |
15 |
|
[FES]C:602 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
21395 |
123.2 |
-14.7 |
0.325 |
0 |
0 |
0 |
0.235 |
16 |
|
[FES]F:602 |
4 |
1 |
235 |
f |
F |
x,y,z |
1_555 |
16 |
10 |
21515 |
119.7 |
-14.3 |
0.352 |
1 |
0 |
0 |
0.235 |
17 |
|
[FES]B:602 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21378 |
119.1 |
-14.2 |
0.309 |
1 |
0 |
0 |
0.235 |
18 |
|
[FES]A:602 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
21294 |
118.8 |
-14.3 |
0.319 |
1 |
0 |
0 |
0.235 |
Average: |
120.2 |
-14.4 |
0.326 |
1 |
0 |
0 |
0.235 |
6 |
19 |
|
[FES]D:602 |
4 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
21300 |
121.5 |
-14.4 |
0.297 |
0 |
0 |
0 |
0.119 |
20 |
|
[FES]E:602 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
21267 |
120.0 |
-14.4 |
0.281 |
1 |
0 |
0 |
0.119 |
21 |
|
[FES]G:602 |
4 |
1 |
235 |
f |
G |
x,y,z |
1_555 |
17 |
10 |
21465 |
116.4 |
-14.0 |
0.304 |
1 |
0 |
0 |
0.119 |
Average: |
119.3 |
-14.3 |
0.294 |
1 |
0 |
0 |
0.119 |
7 |
22 |
|
[FES]H:602 |
4 |
1 |
235 |
f |
H |
x,y,z |
1_555 |
17 |
10 |
21538 |
118.0 |
-14.1 |
0.377 |
1 |
0 |
0 |
0.116 |
8 |
23 |
|
E |
17 |
4 |
21267 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
21300 |
115.7 |
-1.2 |
0.391 |
0 |
0 |
0 |
0.000 |
9 |
24 |
|
H |
10 |
4 |
21538 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
21300 |
89.9 |
2.1 |
0.897 |
2 |
3 |
0 |
0.000 |
10 |
25 |
|
[FES]B:602 |
4 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21294 |
53.8 |
-3.4 |
0.000 |
1 |
0 |
0 |
0.030 |
26 |
|
[FES]F:602 |
4 |
1 |
235 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
21267 |
46.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
50.4 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.030 |
11 |
27 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
21300 |
51.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.150 |
28 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
21395 |
51.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.150 |
29 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21378 |
50.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.150 |
30 |
|
[MG]E:601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
21267 |
50.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.150 |
31 |
|
[MG]G:601 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
21465 |
48.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.150 |
32 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
21294 |
48.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.150 |
33 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
7 |
21515 |
47.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.150 |
34 |
|
[MG]H:601 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
6 |
21538 |
44.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
49.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.150 |
12 |
35 |
|
[FES]D:602 |
4 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
21395 |
51.6 |
-3.1 |
0.000 |
1 |
0 |
0 |
0.028 |
36 |
|
[FES]E:602 |
3 |
1 |
236 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
21515 |
51.2 |
-3.1 |
0.000 |
1 |
0 |
0 |
0.028 |
37 |
|
[FES]G:602 |
4 |
1 |
235 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
21538 |
49.6 |
-2.9 |
0.000 |
1 |
0 |
0 |
0.028 |
Average: |
50.8 |
-3.0 |
0.000 |
1 |
0 |
0 |
0.028 |
13 |
38 |
|
[FES]C:602 |
4 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
21300 |
50.3 |
-3.1 |
0.000 |
1 |
0 |
0 |
0.029 |
14 |
39 |
|
[FES]H:602 |
4 |
1 |
235 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
21465 |
49.5 |
-2.9 |
0.000 |
1 |
0 |
0 |
0.026 |
15 |
40 |
|
[FES]A:602 |
4 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
21378 |
48.7 |
-3.1 |
0.000 |
1 |
0 |
0 |
0.029 |
16 |
41 |
|
H |
8 |
3 |
21538 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
21294 |
44.0 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
17 |
42 |
|
[FES]G:602 |
1 |
1 |
235 |
f |
[MG]G:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
43 |
|
[FES]H:602 |
1 |
1 |
235 |
f |
[MG]H:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.028 |
44 |
|
[FES]F:602 |
1 |
1 |
235 |
f |
[MG]F:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
45 |
|
[FES]A:602 |
1 |
1 |
235 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
|
[FES]E:602 |
1 |
1 |
236 |
f |
[MG]E:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.028 |
47 |
|
[FES]D:602 |
1 |
1 |
235 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.028 |
48 |
|
[FES]B:602 |
1 |
1 |
235 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.028 |
49 |
|
[FES]C:602 |
1 |
1 |
236 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.028 |
18 |
50 |
|
[MG]F:601 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
21267 |
7.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
51 |
|
[MG]H:601 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
21465 |
7.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
52 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
21378 |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
53 |
|
[MG]G:601 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
21538 |
5.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
54 |
|
[MG]E:601 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
21515 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
55 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21294 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
56 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21395 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
|