## |
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 |
163 |
37 |
12650 |
◊ |
D |
x,y,z |
1_555 |
164 |
37 |
12726 |
1499.4 |
-22.1 |
0.063 |
20 |
1 |
0 |
0.515 |
2 |
|
F |
161 |
38 |
12896 |
◊ |
B |
x,y,z |
1_555 |
154 |
36 |
12863 |
1486.2 |
-21.8 |
0.050 |
17 |
2 |
0 |
0.515 |
Average: |
1492.8 |
-22.0 |
0.056 |
19 |
2 |
0 |
0.515 |
2 |
3 |
|
H |
154 |
42 |
12650 |
◊ |
B |
x,y,z |
1_555 |
148 |
40 |
12863 |
1476.4 |
-18.7 |
0.128 |
22 |
4 |
0 |
0.494 |
4 |
|
F |
149 |
41 |
12896 |
◊ |
D |
x,y,z |
1_555 |
152 |
42 |
12726 |
1473.9 |
-20.3 |
0.077 |
17 |
4 |
0 |
0.494 |
Average: |
1475.1 |
-19.5 |
0.102 |
20 |
4 |
0 |
0.494 |
3 |
5 |
|
F |
77 |
26 |
12896 |
◊ |
H |
x-1/2,-y+3/2,-z-1 |
3_464 |
93 |
24 |
12650 |
870.4 |
3.6 |
0.931 |
14 |
11 |
0 |
0.035 |
4 |
6 |
|
D |
88 |
26 |
12726 |
◊ |
B |
-x,y-1/2,-z-1/2 |
4_544 |
72 |
22 |
12863 |
777.4 |
-0.0 |
0.810 |
12 |
8 |
0 |
0.052 |
5 |
7 |
|
H |
71 |
17 |
12650 |
◊ |
F |
x,y,z |
1_555 |
65 |
16 |
12896 |
681.1 |
-7.4 |
0.286 |
5 |
1 |
0 |
0.099 |
8 |
|
D |
73 |
17 |
12726 |
◊ |
B |
x,y,z |
1_555 |
73 |
17 |
12863 |
676.3 |
-7.4 |
0.318 |
6 |
0 |
0 |
0.099 |
Average: |
678.7 |
-7.4 |
0.302 |
6 |
1 |
0 |
0.099 |
6 |
9 |
|
[NAD]D:1271 |
43 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
93 |
33 |
12726 |
577.5 |
-8.1 |
0.488 |
12 |
0 |
0 |
0.459 |
10 |
|
[NAD]B:1271 |
44 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
93 |
32 |
12863 |
575.6 |
-8.2 |
0.477 |
12 |
0 |
0 |
0.459 |
11 |
|
[NAD]F:1270 |
43 |
1 |
821 |
f |
F |
x,y,z |
1_555 |
92 |
32 |
12896 |
575.5 |
-7.8 |
0.464 |
14 |
0 |
0 |
0.459 |
12 |
|
[NAD]H:1271 |
44 |
1 |
814 |
f |
H |
x,y,z |
1_555 |
94 |
34 |
12650 |
570.0 |
-7.6 |
0.484 |
10 |
0 |
0 |
0.459 |
Average: |
574.6 |
-7.9 |
0.478 |
12 |
0 |
0 |
0.459 |
7 |
13 |
|
[KV1]F:1271 |
31 |
1 |
676 |
f |
F |
x,y,z |
1_555 |
63 |
19 |
12896 |
434.7 |
0.6 |
0.206 |
7 |
0 |
0 |
0.081 |
14 |
|
[KV1]D:1270 |
31 |
1 |
670 |
f |
D |
x,y,z |
1_555 |
66 |
20 |
12726 |
432.0 |
0.4 |
0.206 |
6 |
0 |
0 |
0.081 |
15 |
|
[KV1]H:1270 |
31 |
1 |
667 |
f |
H |
x,y,z |
1_555 |
65 |
19 |
12650 |
430.3 |
0.4 |
0.210 |
6 |
0 |
0 |
0.081 |
16 |
|
[KV1]B:1270 |
31 |
1 |
671 |
f |
B |
x,y,z |
1_555 |
60 |
19 |
12863 |
427.1 |
0.2 |
0.189 |
6 |
0 |
0 |
0.081 |
Average: |
431.0 |
0.4 |
0.203 |
6 |
0 |
0 |
0.081 |
8 |
17 |
|
[NAD]F:1270 |
17 |
1 |
821 |
f |
[KV1]F:1271 |
x,y,z |
1_555 |
5 |
1 |
676 |
89.6 |
0.6 |
0.631 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAD]D:1271 |
17 |
1 |
816 |
f |
[KV1]D:1270 |
x,y,z |
1_555 |
6 |
1 |
670 |
89.1 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAD]B:1271 |
17 |
1 |
819 |
f |
[KV1]B:1270 |
x,y,z |
1_555 |
5 |
1 |
671 |
88.0 |
0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAD]H:1271 |
18 |
1 |
814 |
f |
[KV1]H:1270 |
x,y,z |
1_555 |
5 |
1 |
667 |
86.6 |
0.5 |
0.615 |
0 |
0 |
0 |
0.000 |
Average: |
88.4 |
0.4 |
0.611 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
[KV1]F:1271 |
1 |
1 |
676 |
◊ |
H |
x-1/2,-y+3/2,-z-1 |
3_464 |
2 |
1 |
12650 |
7.7 |
0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
[KV1]D:1270 |
1 |
1 |
670 |
◊ |
B |
-x,y-1/2,-z-1/2 |
4_544 |
1 |
1 |
12863 |
3.0 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
|