## |
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 |
|
C |
207 |
58 |
16754 |
◊ |
B |
x,y,z |
1_555 |
224 |
65 |
16767 |
2103.2 |
-27.3 |
0.345 |
11 |
0 |
0 |
0.449 |
2 |
|
B |
202 |
58 |
16767 |
◊ |
A |
x,y,z |
1_555 |
218 |
64 |
16779 |
2094.3 |
-27.9 |
0.277 |
11 |
3 |
0 |
0.449 |
3 |
|
E |
225 |
65 |
16801 |
◊ |
A |
x,y,z |
1_555 |
205 |
59 |
16779 |
2082.3 |
-27.9 |
0.304 |
11 |
0 |
0 |
0.449 |
4 |
|
D |
201 |
59 |
16764 |
◊ |
C |
x,y,z |
1_555 |
223 |
65 |
16754 |
2081.9 |
-27.7 |
0.290 |
11 |
1 |
0 |
0.449 |
5 |
|
E |
202 |
58 |
16801 |
◊ |
D |
x,y,z |
1_555 |
220 |
65 |
16764 |
2078.5 |
-27.1 |
0.335 |
12 |
0 |
0 |
0.449 |
Average: |
2088.0 |
-27.6 |
0.310 |
11 |
1 |
0 |
0.449 |
2 |
6 |
|
B |
67 |
17 |
16767 |
◊ |
B |
-x,y,-z |
2_555 |
67 |
17 |
16767 |
571.0 |
-9.8 |
0.360 |
4 |
4 |
0 |
0.019 |
3 |
7 |
|
D |
50 |
17 |
16764 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
50 |
17 |
16779 |
468.0 |
-3.3 |
0.731 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
[PC1]E:403 |
32 |
1 |
830 |
f |
E |
x,y,z |
1_555 |
51 |
19 |
16801 |
402.9 |
-5.5 |
0.716 |
0 |
0 |
0 |
0.019 |
5 |
9 |
|
[PC1]D:403 |
33 |
1 |
846 |
f |
D |
x,y,z |
1_555 |
44 |
14 |
16764 |
383.1 |
-6.6 |
0.607 |
1 |
0 |
0 |
0.026 |
6 |
10 |
|
[PC1]E:404 |
30 |
1 |
847 |
f |
E |
x,y,z |
1_555 |
47 |
14 |
16801 |
375.1 |
-8.6 |
0.492 |
1 |
0 |
0 |
0.082 |
11 |
|
[PC1]A:404 |
30 |
1 |
864 |
f |
A |
x,y,z |
1_555 |
45 |
13 |
16779 |
368.5 |
-6.3 |
0.558 |
0 |
0 |
0 |
0.082 |
12 |
|
[PC1]D:404 |
28 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
44 |
12 |
16764 |
343.6 |
-7.7 |
0.453 |
0 |
0 |
0 |
0.082 |
13 |
|
[PC1]C:404 |
25 |
1 |
763 |
f |
C |
x,y,z |
1_555 |
40 |
12 |
16754 |
327.9 |
-6.3 |
0.598 |
1 |
0 |
0 |
0.082 |
Average: |
353.8 |
-7.2 |
0.525 |
1 |
0 |
0 |
0.082 |
7 |
14 |
|
[PC1]C:403 |
33 |
1 |
855 |
f |
C |
x,y,z |
1_555 |
42 |
13 |
16754 |
369.4 |
-4.6 |
0.711 |
1 |
0 |
0 |
0.029 |
15 |
|
[PC1]A:403 |
31 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
42 |
14 |
16779 |
340.8 |
-5.1 |
0.679 |
1 |
0 |
0 |
0.029 |
Average: |
355.1 |
-4.8 |
0.695 |
1 |
0 |
0 |
0.029 |
8 |
16 |
|
[PC1]B:403 |
33 |
1 |
877 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
16767 |
368.3 |
-6.4 |
0.685 |
0 |
0 |
0 |
0.025 |
9 |
17 |
|
C |
38 |
12 |
16754 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
40 |
13 |
16801 |
364.7 |
0.3 |
0.897 |
3 |
6 |
0 |
0.000 |
10 |
18 |
|
[PC1]B:404 |
34 |
1 |
875 |
f |
B |
x,y,z |
1_555 |
43 |
12 |
16767 |
337.2 |
-6.0 |
0.556 |
0 |
0 |
0 |
0.023 |
11 |
19 |
|
[LMD]A:402 |
26 |
1 |
878 |
f |
A |
x,y,z |
1_555 |
35 |
11 |
16779 |
261.1 |
-4.0 |
0.513 |
1 |
0 |
0 |
0.039 |
20 |
|
[LMD]C:402 |
26 |
1 |
871 |
f |
C |
x,y,z |
1_555 |
33 |
9 |
16754 |
257.3 |
-4.3 |
0.487 |
1 |
0 |
0 |
0.039 |
21 |
|
[LMD]B:402 |
24 |
1 |
855 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
16767 |
257.1 |
-4.2 |
0.472 |
2 |
0 |
0 |
0.039 |
Average: |
258.5 |
-4.2 |
0.491 |
1 |
0 |
0 |
0.039 |
12 |
22 |
|
[LMD]D:402 |
25 |
1 |
859 |
f |
D |
x,y,z |
1_555 |
33 |
11 |
16764 |
254.1 |
-4.5 |
0.494 |
2 |
0 |
0 |
0.020 |
13 |
23 |
|
[LMD]E:402 |
24 |
1 |
860 |
f |
E |
x,y,z |
1_555 |
34 |
10 |
16801 |
249.2 |
-3.8 |
0.547 |
1 |
0 |
0 |
0.015 |
14 |
24 |
|
[RKE]B:401 |
11 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
16754 |
168.9 |
-7.4 |
0.547 |
0 |
0 |
0 |
0.098 |
25 |
|
[RKE]E:401 |
11 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16779 |
167.5 |
-7.2 |
0.530 |
0 |
0 |
0 |
0.098 |
26 |
|
[RKE]D:401 |
11 |
1 |
399 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
16801 |
164.9 |
-7.1 |
0.548 |
0 |
0 |
0 |
0.098 |
27 |
|
[RKE]A:401 |
11 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
16767 |
163.2 |
-7.0 |
0.571 |
0 |
0 |
0 |
0.098 |
28 |
|
[RKE]C:401 |
11 |
1 |
397 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
16764 |
162.7 |
-6.9 |
0.550 |
0 |
0 |
0 |
0.098 |
Average: |
165.4 |
-7.1 |
0.549 |
0 |
0 |
0 |
0.098 |
15 |
29 |
|
[RKE]D:401 |
13 |
1 |
399 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
16764 |
147.1 |
-3.3 |
0.840 |
2 |
0 |
0 |
0.057 |
30 |
|
[RKE]E:401 |
13 |
1 |
396 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
16801 |
147.0 |
-3.3 |
0.839 |
2 |
0 |
0 |
0.057 |
31 |
|
[RKE]B:401 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
16767 |
146.7 |
-3.3 |
0.839 |
2 |
0 |
0 |
0.057 |
32 |
|
[RKE]C:401 |
13 |
1 |
397 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
16754 |
145.8 |
-3.2 |
0.844 |
2 |
0 |
0 |
0.057 |
33 |
|
[RKE]A:401 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
16779 |
145.5 |
-3.2 |
0.846 |
2 |
0 |
0 |
0.057 |
Average: |
146.4 |
-3.3 |
0.842 |
2 |
0 |
0 |
0.057 |
16 |
34 |
|
[LMD]E:402 |
19 |
1 |
860 |
◊ |
[LMD]A:402 |
x,y,z |
1_555 |
17 |
1 |
878 |
143.7 |
-2.1 |
0.706 |
2 |
0 |
0 |
0.008 |
17 |
35 |
|
[LMD]C:402 |
18 |
1 |
871 |
◊ |
[LMD]B:402 |
x,y,z |
1_555 |
16 |
1 |
855 |
139.8 |
-2.0 |
0.660 |
1 |
0 |
0 |
0.007 |
18 |
36 |
|
A |
16 |
4 |
16779 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
16 |
4 |
16779 |
139.4 |
-3.0 |
0.329 |
0 |
0 |
0 |
0.002 |
37 |
|
E |
15 |
4 |
16801 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
16 |
4 |
16767 |
133.1 |
-2.8 |
0.343 |
0 |
0 |
0 |
0.002 |
38 |
|
D |
16 |
4 |
16764 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
16 |
4 |
16754 |
131.0 |
-2.9 |
0.343 |
0 |
0 |
0 |
0.002 |
Average: |
134.5 |
-2.9 |
0.338 |
0 |
0 |
0 |
0.002 |
19 |
39 |
|
[LMD]E:402 |
20 |
1 |
860 |
◊ |
[LMD]D:402 |
x,y,z |
1_555 |
14 |
1 |
859 |
134.9 |
-2.2 |
0.663 |
0 |
0 |
0 |
0.006 |
20 |
40 |
|
[LMD]D:402 |
18 |
1 |
859 |
◊ |
[LMD]C:402 |
x,y,z |
1_555 |
13 |
1 |
871 |
130.6 |
-2.2 |
0.627 |
0 |
0 |
0 |
0.006 |
21 |
41 |
|
[LMD]C:405 |
17 |
1 |
863 |
◊ |
[LMD]B:402 |
x,y,z |
1_555 |
20 |
1 |
855 |
123.5 |
-3.0 |
0.532 |
0 |
0 |
0 |
0.008 |
22 |
42 |
|
[LMD]B:402 |
16 |
1 |
855 |
◊ |
[LMD]A:402 |
x,y,z |
1_555 |
16 |
1 |
878 |
123.0 |
-1.9 |
0.656 |
2 |
0 |
0 |
0.008 |
23 |
43 |
|
[LMD]C:405 |
17 |
1 |
863 |
◊ |
[LMD]A:402 |
x,y,z |
1_555 |
18 |
1 |
878 |
122.1 |
-3.1 |
0.525 |
0 |
0 |
0 |
0.009 |
24 |
44 |
|
[LMD]D:402 |
17 |
1 |
859 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
16801 |
120.5 |
-2.4 |
0.314 |
0 |
0 |
0 |
0.014 |
45 |
|
[LMD]E:402 |
16 |
1 |
860 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
16779 |
115.0 |
-2.6 |
0.347 |
0 |
0 |
0 |
0.014 |
Average: |
117.8 |
-2.5 |
0.330 |
0 |
0 |
0 |
0.014 |
25 |
46 |
|
[LMD]B:402 |
16 |
1 |
855 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
16754 |
114.2 |
-2.0 |
0.349 |
1 |
0 |
0 |
0.019 |
47 |
|
[LMD]C:402 |
17 |
1 |
871 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
16764 |
107.6 |
-2.1 |
0.322 |
0 |
0 |
0 |
0.019 |
48 |
|
[LMD]A:402 |
16 |
1 |
878 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
16767 |
106.3 |
-1.8 |
0.361 |
1 |
0 |
0 |
0.019 |
Average: |
109.4 |
-2.0 |
0.344 |
1 |
0 |
0 |
0.019 |
26 |
49 |
|
[LMD]C:405 |
20 |
1 |
863 |
◊ |
[LMD]C:402 |
x,y,z |
1_555 |
14 |
1 |
871 |
114.1 |
-3.0 |
0.509 |
0 |
0 |
0 |
0.008 |
27 |
50 |
|
[LMD]C:405 |
13 |
1 |
863 |
◊ |
[LMD]D:402 |
x,y,z |
1_555 |
13 |
1 |
859 |
108.9 |
-2.8 |
0.472 |
0 |
0 |
0 |
0.008 |
28 |
51 |
|
[LMD]C:405 |
19 |
1 |
863 |
f |
[LMD]E:402 |
x,y,z |
1_555 |
14 |
1 |
860 |
106.7 |
-3.2 |
0.496 |
0 |
0 |
0 |
0.011 |
29 |
52 |
|
[PC1]E:404 |
9 |
1 |
847 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
16764 |
100.0 |
-1.1 |
0.289 |
0 |
0 |
0 |
0.008 |
53 |
|
[PC1]D:404 |
8 |
1 |
819 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
16754 |
99.4 |
-1.1 |
0.339 |
0 |
0 |
0 |
0.008 |
54 |
|
[PC1]A:404 |
8 |
1 |
864 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
16801 |
92.1 |
-0.5 |
0.330 |
0 |
0 |
0 |
0.008 |
55 |
|
[PC1]C:404 |
5 |
1 |
763 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16767 |
43.4 |
-0.4 |
0.395 |
0 |
0 |
0 |
0.008 |
Average: |
83.7 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.008 |
30 |
56 |
|
A |
10 |
4 |
16779 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
4 |
16779 |
80.5 |
1.4 |
0.908 |
2 |
0 |
0 |
0.000 |
31 |
57 |
|
[PC1]B:404 |
8 |
1 |
875 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
16779 |
73.6 |
-1.2 |
0.344 |
0 |
0 |
0 |
0.003 |
32 |
58 |
|
[LMD]C:405 |
11 |
1 |
863 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
16754 |
72.5 |
-0.0 |
0.607 |
1 |
0 |
0 |
0.001 |
33 |
59 |
|
[LMD]C:405 |
9 |
1 |
863 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16779 |
69.6 |
0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
[LMD]C:405 |
10 |
1 |
863 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
16801 |
68.5 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
[LMD]C:405 |
13 |
1 |
863 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
16764 |
68.3 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
[LMD]C:402 |
5 |
1 |
871 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
16767 |
64.5 |
-2.0 |
0.177 |
0 |
0 |
0 |
0.011 |
63 |
|
[LMD]B:402 |
4 |
1 |
855 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
16779 |
57.4 |
-1.8 |
0.191 |
0 |
0 |
0 |
0.011 |
Average: |
60.9 |
-1.9 |
0.184 |
0 |
0 |
0 |
0.011 |
37 |
64 |
|
[LMD]A:402 |
5 |
1 |
878 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
16801 |
63.2 |
-2.0 |
0.207 |
0 |
0 |
0 |
0.005 |
38 |
65 |
|
[LMD]D:402 |
5 |
1 |
859 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
16754 |
58.0 |
-1.9 |
0.242 |
0 |
0 |
0 |
0.005 |
39 |
66 |
|
[LMD]E:402 |
6 |
1 |
860 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
16764 |
57.3 |
-1.8 |
0.227 |
0 |
0 |
0 |
0.005 |
40 |
67 |
|
[LMD]C:405 |
10 |
1 |
863 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16767 |
53.5 |
0.2 |
0.527 |
1 |
0 |
0 |
0.000 |
41 |
68 |
|
[PC1]B:404 |
2 |
1 |
875 |
f |
[PC1]B:403 |
x,y,z |
1_555 |
1 |
1 |
877 |
31.3 |
-1.0 |
0.334 |
0 |
0 |
0 |
0.004 |
42 |
69 |
|
C |
6 |
2 |
16754 |
◊ |
[PC1]E:403 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
830 |
25.2 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.000 |
43 |
70 |
|
C |
3 |
1 |
16754 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16779 |
22.2 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
3 |
1 |
16764 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16801 |
18.1 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
20.1 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
44 |
72 |
|
C |
3 |
1 |
16754 |
◊ |
[RKE]E:401 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
396 |
13.2 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
73 |
|
[RKE]C:401 |
1 |
1 |
397 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16801 |
12.0 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
45 |
74 |
|
[RKE]C:401 |
2 |
1 |
397 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16779 |
12.8 |
-0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
75 |
|
D |
3 |
1 |
16764 |
◊ |
[RKE]E:401 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
396 |
7.7 |
-0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
-0.1 |
0.820 |
0 |
0 |
0 |
0.000 |
|