## |
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 |
70 |
21 |
14538 |
◊ |
A |
-x+2,y-1/2,-z-2 |
2_743 |
65 |
17 |
14872 |
634.3 |
-1.3 |
0.609 |
11 |
7 |
0 |
0.000 |
2 |
|
B |
61 |
16 |
14975 |
◊ |
A |
x,y,z |
1_555 |
70 |
22 |
14872 |
609.2 |
-1.5 |
0.466 |
8 |
5 |
0 |
0.000 |
Average: |
621.8 |
-1.4 |
0.538 |
10 |
6 |
0 |
0.000 |
2 |
3 |
|
B |
41 |
14 |
14975 |
◊ |
A |
-x+2,y-1/2,-z-1 |
2_744 |
51 |
15 |
14872 |
437.5 |
-6.0 |
0.134 |
6 |
1 |
0 |
0.000 |
4 |
|
C |
42 |
12 |
14538 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
14872 |
413.6 |
-6.0 |
0.090 |
5 |
0 |
0 |
0.000 |
Average: |
425.6 |
-6.0 |
0.112 |
6 |
1 |
0 |
0.000 |
3 |
5 |
|
[C7]B:401 |
25 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
14975 |
336.1 |
-5.9 |
0.190 |
3 |
0 |
0 |
0.005 |
6 |
|
[C7]A:401 |
25 |
1 |
569 |
f |
A |
x,y,z |
1_555 |
53 |
17 |
14872 |
328.5 |
-6.2 |
0.185 |
2 |
0 |
0 |
0.005 |
Average: |
332.3 |
-6.1 |
0.187 |
3 |
0 |
0 |
0.005 |
4 |
7 |
|
[C7]C:401 |
24 |
1 |
565 |
f |
C |
x,y,z |
1_555 |
47 |
15 |
14538 |
316.6 |
-6.6 |
0.149 |
2 |
0 |
0 |
0.005 |
5 |
8 |
|
C |
34 |
8 |
14538 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
12 |
14872 |
302.3 |
-0.4 |
0.636 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
17 |
6 |
14975 |
x |
B |
-x+3,y-1/2,-z-1 |
2_844 |
16 |
6 |
14975 |
144.2 |
-0.3 |
0.428 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
14 |
7 |
14975 |
◊ |
A |
-x+3,y-1/2,-z-1 |
2_844 |
17 |
5 |
14872 |
133.7 |
-0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
14975 |
115.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
12 |
|
[K]A:403 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
14872 |
115.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
13 |
|
[K]C:403 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
14538 |
114.3 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
114.8 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.070 |
9 |
14 |
|
A |
12 |
5 |
14872 |
x |
A |
-x+2,y-1/2,-z-1 |
2_744 |
10 |
3 |
14872 |
85.4 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
9 |
3 |
14538 |
x |
C |
-x+2,y-1/2,-z-2 |
2_743 |
7 |
4 |
14538 |
76.8 |
0.4 |
0.564 |
1 |
0 |
0 |
0.000 |
Average: |
81.1 |
0.0 |
0.518 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
3 |
1 |
14975 |
◊ |
C |
-x+2,y-1/2,-z-2 |
2_743 |
8 |
2 |
14538 |
43.5 |
1.6 |
0.833 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14872 |
36.4 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.016 |
18 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14975 |
36.2 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.016 |
19 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
7 |
14538 |
36.0 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
36.2 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.016 |
12 |
20 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[C7]A:401 |
x,y,z |
1_555 |
3 |
1 |
569 |
32.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.009 |
21 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[C7]B:401 |
x,y,z |
1_555 |
3 |
1 |
563 |
31.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.009 |
22 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
[C7]C:401 |
x,y,z |
1_555 |
3 |
1 |
565 |
31.9 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
32.0 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.009 |
13 |
23 |
|
C |
3 |
1 |
14538 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14975 |
22.4 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[C7]B:401 |
3 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
14872 |
17.6 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
3 |
1 |
14538 |
◊ |
[C7]A:401 |
-x+2,y-1/2,-z-2 |
2_743 |
2 |
1 |
569 |
15.2 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
-0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
|