## |
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 |
|
G |
160 |
37 |
12433 |
◊ |
E |
x,y,z |
1_555 |
159 |
37 |
12498 |
1478.7 |
-19.4 |
0.127 |
23 |
2 |
0 |
0.505 |
2 |
|
D |
157 |
37 |
12791 |
◊ |
C |
x,y,z |
1_555 |
158 |
37 |
12430 |
1477.3 |
-19.7 |
0.108 |
22 |
2 |
0 |
0.505 |
3 |
|
H |
157 |
36 |
12404 |
◊ |
F |
x,y,z |
1_555 |
159 |
38 |
12716 |
1477.2 |
-19.8 |
0.130 |
20 |
2 |
0 |
0.505 |
4 |
|
B |
158 |
37 |
12767 |
◊ |
A |
x,y,z |
1_555 |
159 |
36 |
12496 |
1475.6 |
-19.5 |
0.115 |
19 |
2 |
0 |
0.505 |
Average: |
1477.2 |
-19.6 |
0.120 |
21 |
2 |
0 |
0.505 |
2 |
5 |
|
E |
151 |
42 |
12498 |
◊ |
B |
x,y,z |
1_555 |
147 |
41 |
12767 |
1468.4 |
-18.8 |
0.132 |
21 |
4 |
0 |
0.493 |
6 |
|
F |
146 |
42 |
12716 |
◊ |
D |
x,y,z |
1_555 |
147 |
41 |
12791 |
1460.8 |
-18.8 |
0.141 |
20 |
4 |
0 |
0.493 |
7 |
|
H |
144 |
41 |
12404 |
◊ |
C |
x,y,z |
1_555 |
148 |
40 |
12430 |
1451.7 |
-18.3 |
0.140 |
20 |
4 |
0 |
0.493 |
8 |
|
G |
144 |
41 |
12433 |
◊ |
A |
x,y,z |
1_555 |
152 |
41 |
12496 |
1444.3 |
-18.2 |
0.147 |
20 |
4 |
0 |
0.493 |
Average: |
1456.3 |
-18.5 |
0.140 |
20 |
4 |
0 |
0.493 |
3 |
9 |
|
E |
103 |
30 |
12498 |
◊ |
C |
x,y-1,z |
1_545 |
102 |
32 |
12430 |
1044.9 |
0.1 |
0.864 |
13 |
12 |
0 |
0.000 |
4 |
10 |
|
F |
83 |
27 |
12716 |
◊ |
A |
x,y,z |
1_555 |
99 |
28 |
12496 |
917.3 |
0.4 |
0.862 |
10 |
10 |
0 |
0.000 |
5 |
11 |
|
D |
73 |
23 |
12791 |
◊ |
D |
-x+1,y,-z |
2_655 |
73 |
23 |
12791 |
836.0 |
-0.2 |
0.825 |
12 |
8 |
0 |
0.000 |
12 |
|
B |
72 |
23 |
12767 |
◊ |
B |
-x,y,-z+1 |
2_556 |
70 |
23 |
12767 |
802.7 |
-1.8 |
0.731 |
12 |
8 |
0 |
0.000 |
Average: |
819.4 |
-1.0 |
0.778 |
12 |
8 |
0 |
0.000 |
6 |
13 |
|
E |
64 |
16 |
12498 |
◊ |
A |
x,y,z |
1_555 |
66 |
16 |
12496 |
691.6 |
-6.5 |
0.327 |
7 |
0 |
0 |
0.097 |
14 |
|
F |
63 |
16 |
12716 |
◊ |
C |
x,y,z |
1_555 |
67 |
16 |
12430 |
685.5 |
-5.4 |
0.439 |
8 |
0 |
0 |
0.097 |
15 |
|
H |
66 |
16 |
12404 |
◊ |
D |
x,y,z |
1_555 |
62 |
16 |
12791 |
684.5 |
-5.0 |
0.477 |
9 |
0 |
0 |
0.097 |
16 |
|
G |
65 |
16 |
12433 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
12767 |
680.5 |
-5.2 |
0.464 |
9 |
0 |
0 |
0.097 |
Average: |
685.5 |
-5.5 |
0.427 |
8 |
0 |
0 |
0.097 |
7 |
17 |
|
[NAD]D:301 |
44 |
1 |
818 |
f |
D |
x,y,z |
1_555 |
93 |
33 |
12791 |
555.5 |
-7.7 |
0.534 |
13 |
0 |
0 |
0.483 |
18 |
|
[NAD]B:301 |
44 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
93 |
33 |
12767 |
555.1 |
-8.0 |
0.511 |
14 |
0 |
0 |
0.483 |
19 |
|
[NAD]G:301 |
44 |
1 |
819 |
f |
G |
x,y,z |
1_555 |
95 |
33 |
12433 |
554.6 |
-8.0 |
0.533 |
13 |
0 |
0 |
0.483 |
20 |
|
[NAD]F:301 |
43 |
1 |
814 |
f |
F |
x,y,z |
1_555 |
95 |
34 |
12716 |
554.6 |
-8.0 |
0.516 |
13 |
0 |
0 |
0.483 |
21 |
|
[NAD]H:301 |
43 |
1 |
817 |
f |
H |
x,y,z |
1_555 |
94 |
33 |
12404 |
553.4 |
-7.9 |
0.544 |
13 |
0 |
0 |
0.483 |
22 |
|
[NAD]C:301 |
43 |
1 |
817 |
f |
C |
x,y,z |
1_555 |
95 |
35 |
12430 |
549.1 |
-7.8 |
0.521 |
14 |
0 |
0 |
0.483 |
23 |
|
[NAD]A:301 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
91 |
32 |
12496 |
548.9 |
-7.7 |
0.510 |
13 |
0 |
0 |
0.483 |
24 |
|
[NAD]E:301 |
43 |
1 |
813 |
f |
E |
x,y,z |
1_555 |
93 |
34 |
12498 |
547.7 |
-8.2 |
0.497 |
13 |
0 |
0 |
0.483 |
Average: |
552.4 |
-7.9 |
0.521 |
13 |
0 |
0 |
0.483 |
8 |
25 |
|
[53K]G:302 |
26 |
1 |
597 |
◊ |
G |
x,y,z |
1_555 |
63 |
23 |
12433 |
373.4 |
2.0 |
0.301 |
2 |
0 |
0 |
0.000 |
26 |
|
[53K]H:302 |
26 |
1 |
598 |
◊ |
H |
x,y,z |
1_555 |
63 |
24 |
12404 |
371.8 |
2.1 |
0.321 |
2 |
0 |
0 |
0.000 |
27 |
|
[53K]F:302 |
26 |
1 |
601 |
◊ |
F |
x,y,z |
1_555 |
63 |
24 |
12716 |
370.5 |
2.1 |
0.321 |
2 |
0 |
0 |
0.000 |
28 |
|
[53K]D:302 |
26 |
1 |
598 |
◊ |
D |
x,y,z |
1_555 |
64 |
23 |
12791 |
365.0 |
2.2 |
0.316 |
2 |
0 |
0 |
0.000 |
29 |
|
[53K]B:302 |
26 |
1 |
594 |
◊ |
B |
x,y,z |
1_555 |
65 |
24 |
12767 |
364.5 |
2.0 |
0.313 |
2 |
0 |
0 |
0.000 |
30 |
|
[53K]C:302 |
26 |
1 |
602 |
◊ |
C |
x,y,z |
1_555 |
61 |
23 |
12430 |
363.0 |
2.5 |
0.298 |
2 |
0 |
0 |
0.000 |
31 |
|
[53K]A:302 |
26 |
1 |
594 |
◊ |
A |
x,y,z |
1_555 |
62 |
24 |
12496 |
353.9 |
2.5 |
0.331 |
2 |
0 |
0 |
0.000 |
32 |
|
[53K]E:302 |
26 |
1 |
597 |
◊ |
E |
x,y,z |
1_555 |
63 |
24 |
12498 |
349.2 |
2.7 |
0.346 |
2 |
0 |
0 |
0.000 |
Average: |
363.9 |
2.3 |
0.318 |
2 |
0 |
0 |
0.000 |
9 |
33 |
|
A |
24 |
10 |
12496 |
◊ |
H |
x-1,y,z |
1_455 |
25 |
11 |
12404 |
283.5 |
-2.1 |
0.443 |
3 |
2 |
0 |
0.000 |
10 |
34 |
|
G |
21 |
10 |
12433 |
◊ |
C |
x-1,y-1,z |
1_445 |
22 |
9 |
12430 |
222.7 |
-1.2 |
0.570 |
1 |
0 |
0 |
0.000 |
11 |
35 |
|
E |
13 |
2 |
12498 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
4 |
12496 |
120.3 |
2.4 |
0.914 |
0 |
0 |
0 |
0.000 |
36 |
|
F |
11 |
2 |
12716 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
4 |
12430 |
119.5 |
2.7 |
0.928 |
0 |
0 |
0 |
0.000 |
Average: |
119.9 |
2.6 |
0.921 |
0 |
0 |
0 |
0.000 |
12 |
37 |
|
[53K]C:302 |
12 |
1 |
602 |
◊ |
[NAD]C:301 |
x,y,z |
1_555 |
19 |
1 |
817 |
111.9 |
1.6 |
0.531 |
1 |
0 |
0 |
0.000 |
38 |
|
[53K]F:302 |
12 |
1 |
601 |
◊ |
[NAD]F:301 |
x,y,z |
1_555 |
18 |
1 |
814 |
111.1 |
1.5 |
0.526 |
1 |
0 |
0 |
0.000 |
39 |
|
[53K]D:302 |
11 |
1 |
598 |
◊ |
[NAD]D:301 |
x,y,z |
1_555 |
20 |
1 |
818 |
111.0 |
1.4 |
0.561 |
1 |
0 |
0 |
0.000 |
40 |
|
[53K]G:302 |
12 |
1 |
597 |
◊ |
[NAD]G:301 |
x,y,z |
1_555 |
19 |
1 |
819 |
110.3 |
1.5 |
0.523 |
1 |
0 |
0 |
0.000 |
41 |
|
[53K]H:302 |
12 |
1 |
598 |
◊ |
[NAD]H:301 |
x,y,z |
1_555 |
19 |
1 |
817 |
109.1 |
1.5 |
0.542 |
1 |
0 |
0 |
0.000 |
42 |
|
[53K]B:302 |
12 |
1 |
594 |
◊ |
[NAD]B:301 |
x,y,z |
1_555 |
19 |
1 |
815 |
108.8 |
1.3 |
0.518 |
1 |
0 |
0 |
0.000 |
43 |
|
[53K]E:302 |
12 |
1 |
597 |
◊ |
[NAD]E:301 |
x,y,z |
1_555 |
18 |
1 |
813 |
108.8 |
1.4 |
0.527 |
1 |
0 |
0 |
0.000 |
44 |
|
[53K]A:302 |
12 |
1 |
594 |
◊ |
[NAD]A:301 |
x,y,z |
1_555 |
19 |
1 |
817 |
108.7 |
1.4 |
0.523 |
1 |
0 |
0 |
0.000 |
Average: |
110.0 |
1.4 |
0.531 |
1 |
0 |
0 |
0.000 |
13 |
45 |
|
[NA]F:303 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
12716 |
73.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.288 |
46 |
|
[NA]H:303 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
12404 |
73.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.288 |
47 |
|
[NA]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
12791 |
70.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.288 |
Average: |
72.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.288 |
14 |
48 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12430 |
58.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.109 |
15 |
49 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12496 |
56.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.123 |
16 |
50 |
|
E |
8 |
3 |
12498 |
◊ |
H |
x-1,y-1,z |
1_445 |
9 |
2 |
12404 |
32.2 |
-0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
17 |
51 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
12433 |
30.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.054 |
18 |
52 |
|
[53K]B:302 |
2 |
1 |
594 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
12433 |
24.2 |
-0.8 |
0.168 |
0 |
0 |
0 |
0.026 |
53 |
|
[53K]E:302 |
2 |
1 |
597 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
12496 |
23.9 |
-0.8 |
0.165 |
0 |
0 |
0 |
0.026 |
54 |
|
[53K]A:302 |
2 |
1 |
594 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
12498 |
23.7 |
-0.8 |
0.170 |
0 |
0 |
0 |
0.026 |
55 |
|
[53K]D:302 |
2 |
1 |
598 |
f |
H |
x,y,z |
1_555 |
2 |
2 |
12404 |
23.5 |
-0.8 |
0.171 |
0 |
0 |
0 |
0.026 |
56 |
|
[53K]H:302 |
2 |
1 |
598 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
12791 |
23.0 |
-0.7 |
0.171 |
0 |
0 |
0 |
0.026 |
57 |
|
[53K]F:302 |
2 |
1 |
601 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
12430 |
22.9 |
-0.7 |
0.166 |
0 |
0 |
0 |
0.026 |
58 |
|
[53K]G:302 |
2 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
12767 |
20.7 |
-0.7 |
0.183 |
0 |
0 |
0 |
0.026 |
Average: |
23.1 |
-0.7 |
0.171 |
0 |
0 |
0 |
0.026 |
19 |
59 |
|
[53K]C:302 |
2 |
1 |
602 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
12716 |
15.5 |
-0.5 |
0.243 |
0 |
0 |
0 |
0.006 |
20 |
60 |
|
C |
3 |
1 |
12430 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12496 |
4.0 |
0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
1 |
1 |
12496 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
12430 |
2.2 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
|