| ## |
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 |
158 |
36 |
12699 |
◊ |
D |
x,y,z |
1_555 |
159 |
38 |
12911 |
1495.9 |
-22.6 |
0.057 |
20 |
2 |
0 |
0.410 |
2 |
|
F |
159 |
38 |
12638 |
◊ |
B |
x,y,z |
1_555 |
155 |
38 |
12611 |
1491.2 |
-21.4 |
0.077 |
20 |
2 |
0 |
0.410 |
| Average: |
1493.6 |
-22.0 |
0.067 |
20 |
2 |
0 |
0.410 |
| 2 |
3 |
|
F |
147 |
41 |
12638 |
◊ |
D |
x,y,z |
1_555 |
149 |
41 |
12911 |
1460.2 |
-19.6 |
0.105 |
18 |
4 |
0 |
0.388 |
4 |
|
H |
149 |
41 |
12699 |
◊ |
B |
x,y,z |
1_555 |
148 |
41 |
12611 |
1452.8 |
-20.1 |
0.103 |
18 |
4 |
0 |
0.388 |
| Average: |
1456.5 |
-19.9 |
0.104 |
18 |
4 |
0 |
0.388 |
| 3 |
5 |
|
F |
91 |
28 |
12638 |
◊ |
H |
x-1/2,-y+3/2,-z-1 |
4_464 |
91 |
28 |
12699 |
913.5 |
-1.4 |
0.795 |
16 |
4 |
0 |
0.000 |
| 4 |
6 |
|
D |
93 |
28 |
12911 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
27 |
12611 |
880.9 |
-4.0 |
0.561 |
10 |
6 |
0 |
0.059 |
| 5 |
7 |
|
D |
66 |
17 |
12911 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
12611 |
681.9 |
-7.3 |
0.312 |
6 |
1 |
0 |
0.086 |
8 |
|
H |
65 |
17 |
12699 |
◊ |
F |
x,y,z |
1_555 |
69 |
17 |
12638 |
679.5 |
-7.5 |
0.306 |
5 |
0 |
0 |
0.086 |
| Average: |
680.7 |
-7.4 |
0.309 |
6 |
1 |
0 |
0.086 |
| 6 |
9 |
|
[NAD]F:302 |
42 |
1 |
817 |
f |
F |
x,y,z |
1_555 |
87 |
32 |
12638 |
561.2 |
-7.6 |
0.503 |
10 |
0 |
0 |
0.346 |
10 |
|
[NAD]D:302 |
43 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
93 |
33 |
12911 |
560.0 |
-8.0 |
0.516 |
13 |
0 |
0 |
0.346 |
11 |
|
[NAD]B:302 |
42 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
90 |
33 |
12611 |
559.4 |
-8.1 |
0.512 |
12 |
0 |
0 |
0.346 |
12 |
|
[NAD]H:302 |
43 |
1 |
810 |
f |
H |
x,y,z |
1_555 |
87 |
32 |
12699 |
555.2 |
-7.3 |
0.499 |
10 |
0 |
0 |
0.346 |
| Average: |
559.0 |
-7.8 |
0.507 |
11 |
0 |
0 |
0.346 |
| 7 |
13 |
|
[9WH]D:301 |
27 |
1 |
570 |
f |
D |
x,y,z |
1_555 |
52 |
19 |
12911 |
369.4 |
-5.9 |
0.312 |
4 |
0 |
0 |
0.218 |
14 |
|
[9WH]H:301 |
26 |
1 |
567 |
f |
H |
x,y,z |
1_555 |
49 |
18 |
12699 |
364.4 |
-7.4 |
0.266 |
2 |
0 |
0 |
0.218 |
15 |
|
[9WH]F:301 |
25 |
1 |
568 |
f |
F |
x,y,z |
1_555 |
50 |
18 |
12638 |
363.2 |
-7.7 |
0.259 |
2 |
0 |
0 |
0.218 |
16 |
|
[9WH]B:301 |
26 |
1 |
574 |
f |
B |
x,y,z |
1_555 |
49 |
19 |
12611 |
328.4 |
-5.6 |
0.305 |
3 |
0 |
0 |
0.218 |
| Average: |
356.3 |
-6.7 |
0.285 |
3 |
0 |
0 |
0.218 |
| 8 |
17 |
|
[NAD]D:302 |
18 |
1 |
817 |
f |
[9WH]D:301 |
x,y,z |
1_555 |
10 |
1 |
570 |
96.4 |
-2.1 |
0.574 |
0 |
0 |
0 |
0.063 |
18 |
|
[NAD]F:302 |
18 |
1 |
817 |
f |
[9WH]F:301 |
x,y,z |
1_555 |
10 |
1 |
568 |
96.3 |
-2.2 |
0.616 |
0 |
0 |
0 |
0.063 |
19 |
|
[NAD]H:302 |
18 |
1 |
810 |
f |
[9WH]H:301 |
x,y,z |
1_555 |
10 |
1 |
567 |
94.8 |
-2.2 |
0.597 |
0 |
0 |
0 |
0.063 |
20 |
|
[NAD]B:302 |
18 |
1 |
818 |
f |
[9WH]B:301 |
x,y,z |
1_555 |
10 |
1 |
574 |
92.1 |
-2.0 |
0.582 |
1 |
0 |
0 |
0.063 |
| Average: |
94.9 |
-2.1 |
0.592 |
0 |
0 |
0 |
0.063 |
| 9 |
21 |
|
D |
5 |
2 |
12911 |
◊ |
[9WH]B:301 |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
1 |
574 |
73.2 |
-1.6 |
0.231 |
0 |
0 |
0 |
0.010 |
|