| ## |
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 |
|
F |
264 |
69 |
13777 |
◊ |
E |
x,y,z |
1_555 |
271 |
69 |
13197 |
2664.3 |
-51.9 |
0.005 |
16 |
10 |
0 |
0.741 |
2 |
|
C |
272 |
68 |
13124 |
◊ |
A |
x,y,z |
1_555 |
268 |
67 |
13654 |
2647.0 |
-50.6 |
0.013 |
17 |
9 |
0 |
0.741 |
3 |
|
G |
265 |
67 |
13801 |
◊ |
B |
x,y,z |
1_555 |
270 |
69 |
13098 |
2633.3 |
-50.9 |
0.009 |
16 |
10 |
0 |
0.741 |
4 |
|
H |
260 |
66 |
13389 |
◊ |
D |
x,y,z |
1_555 |
269 |
67 |
13117 |
2617.4 |
-49.7 |
0.010 |
17 |
9 |
0 |
0.741 |
| Average: |
2640.5 |
-50.8 |
0.009 |
17 |
10 |
0 |
0.741 |
| 2 |
5 |
|
B |
129 |
32 |
13098 |
◊ |
A |
x,y,z |
1_555 |
125 |
33 |
13654 |
1263.2 |
-22.2 |
0.082 |
6 |
6 |
0 |
0.569 |
6 |
|
D |
128 |
31 |
13117 |
◊ |
C |
x,y,z |
1_555 |
124 |
32 |
13124 |
1260.8 |
-22.4 |
0.061 |
10 |
4 |
0 |
0.569 |
7 |
|
H |
129 |
33 |
13389 |
◊ |
E |
x,y,z |
1_555 |
125 |
32 |
13197 |
1260.5 |
-22.0 |
0.070 |
6 |
5 |
0 |
0.569 |
8 |
|
G |
128 |
32 |
13801 |
◊ |
F |
x,y,z |
1_555 |
124 |
32 |
13777 |
1248.2 |
-22.1 |
0.068 |
8 |
4 |
0 |
0.569 |
| Average: |
1258.2 |
-22.2 |
0.070 |
8 |
5 |
0 |
0.569 |
| 3 |
9 |
|
F |
104 |
24 |
13777 |
◊ |
B |
x,y,z |
1_555 |
93 |
28 |
13098 |
903.3 |
-9.2 |
0.390 |
10 |
5 |
0 |
0.497 |
10 |
|
H |
91 |
27 |
13389 |
◊ |
C |
x,y,z |
1_555 |
103 |
25 |
13124 |
889.3 |
-9.9 |
0.347 |
10 |
5 |
0 |
0.497 |
11 |
|
E |
102 |
25 |
13197 |
◊ |
D |
x,y,z |
1_555 |
90 |
26 |
13117 |
882.2 |
-9.8 |
0.310 |
10 |
5 |
0 |
0.497 |
12 |
|
D |
104 |
24 |
13117 |
◊ |
A |
x,y,z |
1_555 |
91 |
26 |
13654 |
874.3 |
-8.9 |
0.398 |
11 |
5 |
0 |
0.497 |
13 |
|
G |
89 |
26 |
13801 |
◊ |
A |
x,y,z |
1_555 |
102 |
25 |
13654 |
872.4 |
-9.8 |
0.352 |
10 |
5 |
0 |
0.497 |
14 |
|
G |
99 |
25 |
13801 |
◊ |
E |
x,y,z |
1_555 |
92 |
26 |
13197 |
840.7 |
-8.7 |
0.425 |
11 |
5 |
0 |
0.497 |
15 |
|
C |
89 |
26 |
13124 |
◊ |
B |
x,y,z |
1_555 |
97 |
24 |
13098 |
825.5 |
-8.6 |
0.420 |
9 |
5 |
0 |
0.497 |
16 |
|
H |
95 |
24 |
13389 |
◊ |
F |
x,y,z |
1_555 |
90 |
26 |
13777 |
813.5 |
-8.3 |
0.431 |
10 |
5 |
0 |
0.497 |
| Average: |
862.6 |
-9.2 |
0.384 |
10 |
5 |
0 |
0.497 |
| 4 |
17 |
|
[48F]D:301 |
35 |
1 |
742 |
f |
D |
x,y,z |
1_555 |
77 |
33 |
13117 |
509.7 |
-8.9 |
0.628 |
11 |
0 |
0 |
0.564 |
18 |
|
[48F]C:301 |
35 |
1 |
746 |
f |
C |
x,y,z |
1_555 |
74 |
33 |
13124 |
506.8 |
-8.6 |
0.648 |
9 |
0 |
0 |
0.564 |
19 |
|
[48F]E:301 |
35 |
1 |
746 |
f |
E |
x,y,z |
1_555 |
77 |
34 |
13197 |
504.7 |
-8.3 |
0.657 |
12 |
0 |
0 |
0.564 |
20 |
|
[48F]G:301 |
35 |
1 |
745 |
f |
G |
x,y,z |
1_555 |
76 |
33 |
13801 |
504.2 |
-9.4 |
0.651 |
9 |
0 |
0 |
0.564 |
21 |
|
[48F]A:301 |
35 |
1 |
742 |
f |
A |
x,y,z |
1_555 |
78 |
33 |
13654 |
503.1 |
-9.3 |
0.635 |
10 |
0 |
0 |
0.564 |
22 |
|
[48F]H:301 |
35 |
1 |
746 |
f |
H |
x,y,z |
1_555 |
77 |
34 |
13389 |
501.7 |
-9.4 |
0.645 |
11 |
0 |
0 |
0.564 |
23 |
|
[48F]B:301 |
35 |
1 |
741 |
f |
B |
x,y,z |
1_555 |
77 |
33 |
13098 |
500.7 |
-8.3 |
0.661 |
10 |
0 |
0 |
0.564 |
24 |
|
[48F]F:301 |
35 |
1 |
741 |
f |
F |
x,y,z |
1_555 |
78 |
33 |
13777 |
500.5 |
-8.6 |
0.659 |
9 |
0 |
0 |
0.564 |
| Average: |
503.9 |
-8.8 |
0.648 |
10 |
0 |
0 |
0.564 |
| 5 |
25 |
|
B |
31 |
8 |
13098 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
27 |
8 |
13124 |
269.9 |
-0.8 |
0.720 |
3 |
5 |
0 |
0.000 |
26 |
|
D |
28 |
8 |
13117 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
31 |
8 |
13197 |
269.3 |
-0.6 |
0.736 |
3 |
4 |
0 |
0.000 |
| Average: |
269.6 |
-0.7 |
0.728 |
3 |
5 |
0 |
0.000 |
| 6 |
27 |
|
[NHE]A:302 |
12 |
1 |
371 |
◊ |
A |
x,y,z |
1_555 |
29 |
14 |
13654 |
197.5 |
5.3 |
0.372 |
2 |
0 |
0 |
0.000 |
| 7 |
28 |
|
[NHE]F:302 |
12 |
1 |
371 |
◊ |
F |
x,y,z |
1_555 |
29 |
14 |
13777 |
197.1 |
5.5 |
0.440 |
0 |
0 |
0 |
0.000 |
| 8 |
29 |
|
G |
18 |
4 |
13801 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
30 |
9 |
13124 |
197.0 |
-2.6 |
0.420 |
2 |
0 |
0 |
0.000 |
30 |
|
D |
23 |
9 |
13117 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
16 |
4 |
13777 |
142.8 |
-0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| Average: |
169.9 |
-1.4 |
0.571 |
1 |
0 |
0 |
0.000 |
| 9 |
31 |
|
[NHE]H:302 |
13 |
1 |
365 |
◊ |
H |
x,y,z |
1_555 |
27 |
14 |
13389 |
194.5 |
5.3 |
0.337 |
1 |
0 |
0 |
0.000 |
| 10 |
32 |
|
[NHE]G:302 |
11 |
1 |
367 |
◊ |
G |
x,y,z |
1_555 |
29 |
14 |
13801 |
194.3 |
5.1 |
0.475 |
1 |
0 |
0 |
0.000 |
| 11 |
33 |
|
[NHE]C:302 |
12 |
1 |
372 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
13124 |
181.6 |
3.5 |
0.116 |
0 |
0 |
0 |
0.000 |
| 12 |
34 |
|
F |
12 |
3 |
13777 |
◊ |
G |
x,y,z-1 |
1_554 |
12 |
3 |
13801 |
114.9 |
0.2 |
0.750 |
2 |
0 |
0 |
0.004 |
| 13 |
35 |
|
G |
10 |
4 |
13801 |
◊ |
A |
-y,x-y-1,z+2/3 |
2_545 |
12 |
3 |
13654 |
99.8 |
-0.4 |
0.656 |
1 |
0 |
0 |
0.000 |
36 |
|
H |
8 |
2 |
13389 |
◊ |
F |
-y,x-y,z+2/3 |
2_555 |
8 |
3 |
13777 |
57.5 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| Average: |
78.6 |
-0.2 |
0.674 |
1 |
0 |
0 |
0.000 |
| 14 |
37 |
|
[48F]E:301 |
11 |
1 |
746 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
13801 |
94.7 |
-1.1 |
0.703 |
2 |
0 |
0 |
0.091 |
38 |
|
[48F]H:301 |
12 |
1 |
746 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13124 |
92.6 |
-1.2 |
0.716 |
3 |
0 |
0 |
0.091 |
39 |
|
[48F]B:301 |
13 |
1 |
741 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
13777 |
92.2 |
-1.4 |
0.702 |
3 |
0 |
0 |
0.091 |
40 |
|
[48F]A:301 |
11 |
1 |
742 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13117 |
92.0 |
-1.2 |
0.697 |
3 |
0 |
0 |
0.091 |
41 |
|
[48F]G:301 |
11 |
1 |
745 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13654 |
89.2 |
-1.2 |
0.712 |
3 |
0 |
0 |
0.091 |
42 |
|
[48F]F:301 |
10 |
1 |
741 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
13389 |
88.9 |
-1.2 |
0.696 |
4 |
0 |
0 |
0.091 |
43 |
|
[48F]C:301 |
13 |
1 |
746 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13098 |
86.7 |
-1.1 |
0.722 |
2 |
0 |
0 |
0.091 |
44 |
|
[48F]D:301 |
13 |
1 |
742 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13197 |
85.8 |
-0.8 |
0.729 |
1 |
0 |
0 |
0.091 |
| Average: |
90.3 |
-1.2 |
0.710 |
3 |
0 |
0 |
0.091 |
| 15 |
45 |
|
B |
6 |
2 |
13098 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
10 |
3 |
13654 |
60.0 |
0.7 |
0.793 |
1 |
0 |
0 |
0.000 |
46 |
|
H |
10 |
3 |
13389 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
6 |
2 |
13197 |
59.0 |
0.7 |
0.801 |
1 |
0 |
0 |
0.000 |
| Average: |
59.5 |
0.7 |
0.797 |
1 |
0 |
0 |
0.000 |
| 16 |
47 |
|
[NHE]F:302 |
5 |
1 |
371 |
f |
G |
x,y,z-1 |
1_554 |
4 |
1 |
13801 |
50.7 |
0.8 |
0.155 |
1 |
0 |
0 |
0.000 |
| 17 |
48 |
|
[NHE]H:302 |
6 |
1 |
365 |
f |
D |
x,y,z-1 |
1_554 |
5 |
1 |
13117 |
49.3 |
1.0 |
0.134 |
1 |
0 |
0 |
0.000 |
| 18 |
49 |
|
C |
4 |
1 |
13124 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
13654 |
48.6 |
0.9 |
0.854 |
0 |
0 |
0 |
0.000 |
50 |
|
H |
6 |
4 |
13389 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
1 |
13117 |
45.1 |
0.7 |
0.824 |
0 |
0 |
0 |
0.000 |
| Average: |
46.9 |
0.8 |
0.839 |
0 |
0 |
0 |
0.000 |
| 19 |
51 |
|
F |
4 |
1 |
13777 |
f |
[NHE]G:302 |
x,y,z-1 |
1_554 |
6 |
1 |
367 |
48.5 |
0.9 |
0.116 |
1 |
0 |
0 |
0.000 |
| 20 |
52 |
|
C |
4 |
1 |
13124 |
f |
[NHE]A:302 |
x,y,z-1 |
1_554 |
10 |
1 |
371 |
47.4 |
1.4 |
0.037 |
0 |
0 |
0 |
0.000 |
| 21 |
53 |
|
G |
2 |
1 |
13801 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
3 |
2 |
13654 |
39.0 |
-1.0 |
0.172 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
2 |
2 |
13389 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
13777 |
9.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
24.3 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
| 22 |
55 |
|
B |
2 |
1 |
13098 |
◊ |
A |
-y,x-y-1,z+2/3 |
2_545 |
4 |
1 |
13654 |
30.7 |
-1.4 |
0.145 |
0 |
0 |
0 |
0.000 |
| 23 |
56 |
|
E |
3 |
1 |
13197 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13098 |
27.6 |
-0.9 |
0.223 |
0 |
0 |
0 |
0.006 |
57 |
|
G |
3 |
1 |
13801 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13124 |
27.3 |
-0.9 |
0.250 |
0 |
0 |
0 |
0.006 |
58 |
|
H |
3 |
1 |
13389 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13654 |
26.5 |
-0.8 |
0.261 |
0 |
0 |
0 |
0.006 |
59 |
|
F |
3 |
1 |
13777 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13117 |
24.9 |
-0.8 |
0.254 |
0 |
0 |
0 |
0.006 |
| Average: |
26.6 |
-0.9 |
0.247 |
0 |
0 |
0 |
0.006 |
|