## |
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 |
161 |
46 |
6691 |
◊ |
A |
x,y,z |
1_555 |
157 |
45 |
6824 |
1543.9 |
-26.7 |
0.008 |
14 |
2 |
0 |
0.560 |
2 |
|
D |
144 |
42 |
6458 |
◊ |
C |
x,y,z |
1_555 |
150 |
42 |
6634 |
1453.0 |
-25.6 |
0.011 |
12 |
0 |
0 |
0.560 |
Average: |
1498.5 |
-26.2 |
0.009 |
13 |
1 |
0 |
0.560 |
2 |
3 |
|
C |
46 |
13 |
6634 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
45 |
13 |
6824 |
482.8 |
-0.9 |
0.627 |
6 |
8 |
0 |
0.000 |
3 |
4 |
|
B |
46 |
15 |
6691 |
◊ |
D |
x,y,z-1 |
1_554 |
51 |
13 |
6458 |
476.6 |
-1.5 |
0.572 |
3 |
7 |
0 |
0.000 |
4 |
5 |
|
B |
59 |
14 |
6691 |
◊ |
B |
-x+1,y,-z |
2_655 |
59 |
14 |
6691 |
445.4 |
3.4 |
0.857 |
6 |
6 |
0 |
0.000 |
5 |
6 |
|
C |
24 |
7 |
6634 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
6691 |
246.5 |
3.3 |
0.907 |
4 |
8 |
0 |
0.000 |
7 |
|
D |
23 |
7 |
6458 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
6824 |
238.2 |
2.8 |
0.892 |
5 |
8 |
0 |
0.000 |
Average: |
242.4 |
3.1 |
0.900 |
5 |
8 |
0 |
0.000 |
6 |
8 |
|
H |
20 |
3 |
584 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
30 |
7 |
6824 |
221.0 |
-1.5 |
0.512 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
21 |
6 |
6458 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
6691 |
200.4 |
0.2 |
0.681 |
3 |
3 |
0 |
0.000 |
10 |
|
C |
21 |
5 |
6634 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
6824 |
178.0 |
0.2 |
0.678 |
1 |
3 |
0 |
0.000 |
Average: |
189.2 |
0.2 |
0.679 |
2 |
3 |
0 |
0.000 |
8 |
11 |
|
[FLC]B:1114 |
12 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
6691 |
179.3 |
0.7 |
0.534 |
7 |
0 |
0 |
0.081 |
12 |
|
[FLC]C:1115 |
12 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
25 |
15 |
6634 |
177.4 |
0.8 |
0.545 |
7 |
0 |
0 |
0.081 |
13 |
|
[FLC]D:1114 |
12 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
21 |
13 |
6458 |
171.8 |
0.3 |
0.544 |
6 |
0 |
0 |
0.081 |
Average: |
176.1 |
0.6 |
0.541 |
7 |
0 |
0 |
0.081 |
9 |
14 |
|
[FLC]A:1114 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
6824 |
176.5 |
0.9 |
0.576 |
5 |
0 |
0 |
0.022 |
10 |
15 |
|
H |
19 |
3 |
584 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
6634 |
135.9 |
-1.2 |
0.481 |
1 |
1 |
0 |
0.000 |
11 |
16 |
|
D |
13 |
5 |
6458 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
6691 |
92.6 |
-0.9 |
0.417 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
12 |
5 |
6458 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
2 |
6824 |
83.5 |
1.0 |
0.678 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
D |
5 |
3 |
6458 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
6634 |
58.0 |
0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
H |
5 |
2 |
584 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6458 |
50.5 |
-0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[NI]B:1113 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
6691 |
43.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.264 |
21 |
|
[NI]A:1113 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6824 |
43.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.264 |
22 |
|
[NI]C:1114 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
6634 |
43.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.264 |
23 |
|
[NI]D:1113 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
6458 |
43.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.264 |
Average: |
43.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.264 |
16 |
24 |
|
[NI]H:1004 |
1 |
1 |
115 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
584 |
37.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.100 |
17 |
25 |
|
[FLC]A:1114 |
5 |
1 |
315 |
f |
[NI]A:1113 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.121 |
26 |
|
[FLC]C:1115 |
4 |
1 |
310 |
f |
[NI]C:1114 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.121 |
27 |
|
[FLC]B:1114 |
5 |
1 |
315 |
f |
[NI]B:1113 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.121 |
28 |
|
[FLC]D:1114 |
5 |
1 |
308 |
f |
[NI]D:1113 |
x,y,z |
1_555 |
1 |
1 |
115 |
35.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
29 |
|
C |
5 |
1 |
6634 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
3 |
6458 |
32.7 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
C |
6 |
2 |
6634 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
6824 |
32.0 |
-0.8 |
0.296 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
B |
2 |
2 |
6691 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
6824 |
26.4 |
0.7 |
0.835 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[NI]H:1004 |
1 |
1 |
115 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
6824 |
26.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[NI]H:1004 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6634 |
24.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
A |
4 |
2 |
6824 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
6824 |
21.4 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
D |
4 |
1 |
6458 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
6458 |
14.9 |
-0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
|