## |
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 |
|
A |
97 |
28 |
6856 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
95 |
28 |
6856 |
938.7 |
-12.8 |
0.183 |
10 |
4 |
0 |
0.325 |
2 |
|
C |
94 |
28 |
6758 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
97 |
27 |
6895 |
929.2 |
-13.1 |
0.162 |
10 |
4 |
0 |
0.325 |
Average: |
933.9 |
-13.0 |
0.172 |
10 |
4 |
0 |
0.325 |
2 |
3 |
|
C |
83 |
25 |
6758 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
83 |
26 |
6856 |
819.5 |
0.4 |
0.850 |
23 |
10 |
0 |
0.135 |
4 |
|
B |
85 |
25 |
6895 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
85 |
25 |
6895 |
802.8 |
0.7 |
0.856 |
21 |
10 |
0 |
0.135 |
Average: |
811.1 |
0.5 |
0.853 |
22 |
10 |
0 |
0.135 |
3 |
5 |
|
C |
36 |
12 |
6758 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
6856 |
309.0 |
-3.3 |
0.408 |
2 |
4 |
0 |
0.141 |
6 |
|
C |
28 |
8 |
6758 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
6895 |
302.9 |
-3.8 |
0.355 |
4 |
4 |
0 |
0.141 |
7 |
|
B |
27 |
8 |
6895 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
6856 |
302.4 |
-3.8 |
0.342 |
4 |
4 |
0 |
0.141 |
Average: |
304.8 |
-3.6 |
0.368 |
3 |
4 |
0 |
0.141 |
4 |
8 |
|
C |
35 |
10 |
6758 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
36 |
11 |
6758 |
298.9 |
-0.8 |
0.690 |
2 |
4 |
0 |
0.000 |
5 |
9 |
|
C |
29 |
7 |
6758 |
◊ |
C |
x,-y,-z+1 |
4_556 |
29 |
7 |
6758 |
206.8 |
-1.0 |
0.643 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
15 |
4 |
6895 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
24 |
7 |
6856 |
171.9 |
-1.4 |
0.400 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
16 |
4 |
6895 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
16 |
8 |
6856 |
131.5 |
1.6 |
0.784 |
1 |
2 |
0 |
0.000 |
8 |
12 |
|
A |
7 |
3 |
6856 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
12 |
4 |
6895 |
70.6 |
-1.1 |
0.447 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
9 |
5 |
6895 |
◊ |
B |
x,-y,-z |
4_555 |
9 |
5 |
6895 |
66.3 |
-1.4 |
0.386 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
7 |
3 |
6895 |
◊ |
C |
-x,-y,z-1/2 |
2_554 |
7 |
4 |
6758 |
63.3 |
0.7 |
0.773 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
[CL]C:303C |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
6758 |
60.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.383 |
16 |
|
[CL]A:301C |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6856 |
57.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.383 |
17 |
|
[CL]B:302C |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6895 |
55.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.383 |
Average: |
58.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.383 |
12 |
18 |
|
[NI]B:202N |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6895 |
39.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.128 |
13 |
19 |
|
[NI]A:201N |
1 |
1 |
115 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
8 |
4 |
6856 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.123 |
20 |
|
[NI]C:203N |
1 |
1 |
115 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
9 |
4 |
6895 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.123 |
21 |
|
[NI]B:202N |
1 |
1 |
115 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
7 |
4 |
6758 |
20.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
25.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.123 |
14 |
22 |
|
[CL]C:303C |
1 |
1 |
125 |
f |
[NI]C:203N |
x,y,z |
1_555 |
1 |
1 |
115 |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
15 |
23 |
|
[CL]A:301C |
1 |
1 |
125 |
f |
[NI]A:201N |
x,y,z |
1_555 |
1 |
1 |
115 |
23.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.168 |
16 |
24 |
|
[CL]B:302C |
1 |
1 |
125 |
f |
[NI]B:202N |
x,y,z |
1_555 |
1 |
1 |
115 |
20.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.066 |
17 |
25 |
|
C |
2 |
1 |
6758 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
6856 |
12.8 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
|