## |
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 |
|
E |
84 |
30 |
12603 |
◊ |
B |
x,y,z |
1_555 |
85 |
27 |
12326 |
747.5 |
-9.1 |
0.175 |
8 |
2 |
0 |
0.123 |
2 |
|
H |
85 |
29 |
12356 |
◊ |
H |
x,-y,-z-1 |
2_554 |
85 |
29 |
12356 |
731.3 |
-8.6 |
0.218 |
8 |
2 |
0 |
0.123 |
Average: |
739.4 |
-8.8 |
0.197 |
8 |
2 |
0 |
0.123 |
2 |
3 |
|
B |
35 |
15 |
12326 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
9 |
12603 |
286.9 |
-0.6 |
0.583 |
3 |
8 |
0 |
0.016 |
3 |
4 |
|
B |
31 |
12 |
12326 |
◊ |
H |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
8 |
12356 |
275.3 |
-5.6 |
0.098 |
1 |
2 |
0 |
0.032 |
4 |
5 |
|
H |
24 |
8 |
12356 |
◊ |
E |
x,y,z |
1_555 |
27 |
11 |
12603 |
267.0 |
0.6 |
0.647 |
4 |
4 |
0 |
0.009 |
5 |
6 |
|
H |
24 |
10 |
12356 |
x |
H |
x-1,y,z |
1_455 |
26 |
9 |
12356 |
191.8 |
-2.2 |
0.394 |
0 |
0 |
0 |
0.000 |
7 |
|
E |
24 |
9 |
12603 |
x |
E |
x-1,y,z |
1_455 |
26 |
10 |
12603 |
187.7 |
-2.4 |
0.358 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
21 |
10 |
12326 |
x |
B |
x-1,y,z |
1_455 |
23 |
10 |
12326 |
155.6 |
-2.0 |
0.409 |
0 |
0 |
0 |
0.000 |
Average: |
178.4 |
-2.2 |
0.387 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[HCZ]H:800 |
15 |
1 |
424 |
f |
H |
x,y,z |
1_555 |
25 |
11 |
12356 |
172.0 |
-4.8 |
0.528 |
0 |
0 |
0 |
0.073 |
10 |
|
[HCZ]B:800 |
14 |
1 |
425 |
cf |
B |
x,y,z |
1_555 |
21 |
9 |
12326 |
170.5 |
-4.1 |
0.638 |
0 |
0 |
0 |
0.073 |
Average: |
171.2 |
-4.5 |
0.583 |
0 |
0 |
0 |
0.073 |
7 |
11 |
|
[HCZ]B:262 |
15 |
1 |
427 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
12603 |
164.4 |
-5.3 |
0.489 |
0 |
0 |
0 |
0.051 |
8 |
12 |
|
[HCZ]B:262 |
15 |
1 |
427 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
12326 |
163.4 |
-5.7 |
0.512 |
2 |
0 |
0 |
0.062 |
9 |
13 |
|
[HCZ]B:800 |
15 |
1 |
425 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
12603 |
162.7 |
-6.0 |
0.487 |
2 |
0 |
0 |
0.104 |
14 |
|
[HCZ]H:800 |
15 |
1 |
424 |
◊ |
H |
x,-y,-z-1 |
2_554 |
19 |
6 |
12356 |
158.0 |
-6.0 |
0.462 |
2 |
0 |
0 |
0.104 |
Average: |
160.3 |
-6.0 |
0.474 |
2 |
0 |
0 |
0.104 |
10 |
15 |
|
E |
20 |
8 |
12603 |
◊ |
B |
x,-y,-z |
2_555 |
10 |
5 |
12326 |
146.1 |
-2.1 |
0.127 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
H |
9 |
4 |
12356 |
◊ |
E |
-x,-y+1/2,z-1/2 |
4_554 |
12 |
3 |
12603 |
91.0 |
1.2 |
0.793 |
1 |
4 |
0 |
0.000 |
12 |
17 |
|
H |
10 |
4 |
12356 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12326 |
79.2 |
-0.3 |
0.574 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[ZN]B:2 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
9 |
5 |
12326 |
47.0 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.534 |
19 |
|
[ZN]H:1 |
1 |
1 |
98 |
cf |
H |
x,y,z |
1_555 |
8 |
4 |
12356 |
39.4 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.534 |
20 |
|
[ZN]E:3 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
12603 |
38.3 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.534 |
Average: |
41.6 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.534 |
14 |
21 |
|
[HCZ]H:800 |
4 |
1 |
424 |
◊ |
[HCZ]H:800 |
x,-y,-z-1 |
2_554 |
4 |
1 |
424 |
45.9 |
1.0 |
0.938 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[HCZ]B:800 |
5 |
1 |
425 |
f |
[HCZ]B:262 |
x,y,z |
1_555 |
5 |
1 |
427 |
41.6 |
0.9 |
0.938 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[ZN]H:2 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
12356 |
40.6 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.354 |
17 |
24 |
|
B |
5 |
3 |
12326 |
cf |
[ZN]E:262 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
40.6 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.184 |
18 |
25 |
|
[ZN]E:262 |
1 |
1 |
98 |
c |
E |
x,y,z |
1_555 |
4 |
2 |
12603 |
39.5 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.171 |
26 |
|
B |
8 |
3 |
12326 |
◊ |
[ZN]H:2 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
31.7 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
35.6 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.171 |
19 |
27 |
|
[ZN]E:3 |
1 |
1 |
98 |
c |
H |
x,y,z |
1_555 |
6 |
2 |
12356 |
37.0 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.086 |
20 |
28 |
|
[ZN]H:1 |
1 |
1 |
98 |
◊ |
E |
-x,-y+1/2,z-1/2 |
4_554 |
3 |
1 |
12603 |
31.2 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.147 |
|