## |
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 |
|
B |
53 |
16 |
6386 |
◊ |
B |
y-1,x+1,-z |
4_465 |
53 |
16 |
6386 |
523.7 |
6.6 |
0.974 |
10 |
10 |
0 |
0.003 |
2 |
|
C |
53 |
14 |
6381 |
◊ |
A |
y-1,x,-z |
4_455 |
55 |
15 |
6355 |
516.6 |
7.2 |
0.969 |
13 |
12 |
0 |
0.003 |
Average: |
520.1 |
6.9 |
0.972 |
12 |
11 |
0 |
0.003 |
2 |
3 |
|
C |
55 |
16 |
6381 |
◊ |
A |
x,y,z |
1_555 |
58 |
13 |
6355 |
505.1 |
-6.8 |
0.167 |
3 |
6 |
0 |
0.117 |
4 |
|
B |
59 |
14 |
6386 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
6355 |
493.0 |
-6.2 |
0.207 |
3 |
6 |
0 |
0.117 |
5 |
|
C |
59 |
13 |
6381 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
6386 |
479.1 |
-5.9 |
0.198 |
3 |
5 |
0 |
0.117 |
Average: |
492.4 |
-6.3 |
0.191 |
3 |
6 |
0 |
0.117 |
3 |
6 |
|
[HEC]B:201 |
43 |
1 |
811 |
cf |
B |
x,y,z |
1_555 |
74 |
21 |
6386 |
503.2 |
-17.5 |
0.317 |
0 |
0 |
0 |
0.281 |
7 |
|
[HEC]C:201 |
41 |
1 |
822 |
cf |
C |
x,y,z |
1_555 |
82 |
24 |
6381 |
496.3 |
-18.4 |
0.212 |
0 |
0 |
0 |
0.281 |
8 |
|
[HEC]A:201 |
41 |
1 |
809 |
cf |
A |
x,y,z |
1_555 |
71 |
22 |
6355 |
494.6 |
-18.5 |
0.162 |
0 |
0 |
0 |
0.281 |
Average: |
498.0 |
-18.1 |
0.230 |
0 |
0 |
0 |
0.281 |
4 |
9 |
|
C |
18 |
8 |
6381 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
15 |
3 |
6386 |
149.9 |
-0.3 |
0.590 |
2 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
15 |
5 |
6355 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
22 |
6 |
6381 |
148.5 |
1.8 |
0.734 |
3 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
18 |
6 |
6381 |
◊ |
B |
-x-1,-x+y-1,-z+1/3 |
6_445 |
14 |
7 |
6386 |
111.6 |
0.9 |
0.743 |
0 |
1 |
0 |
0.000 |
7 |
12 |
|
A |
16 |
7 |
6355 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
13 |
5 |
6355 |
105.0 |
-0.2 |
0.598 |
2 |
2 |
0 |
0.000 |
8 |
13 |
|
C |
13 |
6 |
6381 |
◊ |
[MPD]A:206 |
y-1,x,-z |
4_455 |
7 |
1 |
278 |
91.4 |
-4.7 |
0.872 |
0 |
0 |
0 |
0.033 |
9 |
14 |
|
[MPD]A:207 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
6355 |
91.0 |
-5.1 |
0.740 |
0 |
0 |
0 |
0.036 |
10 |
15 |
|
[MPD]B:205 |
7 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
6386 |
88.2 |
-4.4 |
0.886 |
0 |
0 |
0 |
0.070 |
11 |
16 |
|
[NA]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
6386 |
84.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.176 |
12 |
17 |
|
C |
9 |
3 |
6381 |
◊ |
[HEC]A:201 |
y-1,x,-z |
4_455 |
6 |
1 |
809 |
66.6 |
-1.9 |
0.583 |
1 |
0 |
0 |
0.042 |
18 |
|
[HEC]B:201 |
6 |
1 |
811 |
◊ |
B |
y-1,x+1,-z |
4_465 |
12 |
4 |
6386 |
63.7 |
-1.7 |
0.585 |
2 |
0 |
0 |
0.042 |
19 |
|
[HEC]C:201 |
7 |
1 |
822 |
◊ |
A |
y-1,x,-z |
4_455 |
9 |
3 |
6355 |
62.2 |
-1.8 |
0.671 |
2 |
0 |
0 |
0.042 |
Average: |
64.2 |
-1.8 |
0.613 |
2 |
0 |
0 |
0.042 |
13 |
20 |
|
C |
13 |
3 |
6381 |
◊ |
[MPD]A:207 |
y-1,x,-z |
4_455 |
5 |
1 |
276 |
65.8 |
-2.9 |
0.853 |
0 |
0 |
0 |
0.021 |
14 |
21 |
|
[MPD]A:206 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
6355 |
64.8 |
-3.5 |
0.683 |
0 |
0 |
0 |
0.025 |
15 |
22 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
6386 |
64.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.131 |
16 |
23 |
|
[NA]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
6355 |
64.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.076 |
17 |
24 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6386 |
63.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.144 |
18 |
25 |
|
[MPD]B:205 |
6 |
1 |
272 |
◊ |
B |
y-1,x+1,-z |
4_465 |
14 |
3 |
6386 |
63.6 |
-2.9 |
0.862 |
0 |
0 |
0 |
0.046 |
19 |
26 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6355 |
62.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
6381 |
60.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
61.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.104 |
20 |
28 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6355 |
58.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
|
[CL]C:206 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6381 |
58.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
58.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.100 |
21 |
30 |
|
[NA]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6381 |
53.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
31 |
|
[MPD]A:207 |
6 |
1 |
276 |
f |
[HEC]A:201 |
x,y,z |
1_555 |
14 |
1 |
809 |
53.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
23 |
32 |
|
[HEC]C:201 |
14 |
1 |
822 |
◊ |
[MPD]A:206 |
y-1,x,-z |
4_455 |
4 |
1 |
278 |
53.0 |
-3.2 |
0.992 |
0 |
0 |
0 |
0.022 |
24 |
33 |
|
A |
5 |
2 |
6355 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
8 |
3 |
6386 |
52.4 |
0.7 |
0.790 |
0 |
2 |
0 |
0.000 |
25 |
34 |
|
B |
5 |
2 |
6386 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
7 |
2 |
6355 |
51.6 |
0.5 |
0.715 |
1 |
0 |
0 |
0.000 |
26 |
35 |
|
[MPD]B:205 |
5 |
1 |
272 |
f |
[HEC]B:201 |
x,y,z |
1_555 |
16 |
1 |
811 |
49.9 |
-2.8 |
1.000 |
0 |
0 |
0 |
0.045 |
27 |
36 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6386 |
46.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.048 |
37 |
|
[CL]C:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6355 |
39.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
42.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
28 |
38 |
|
[NA]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
6381 |
46.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.037 |
29 |
39 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6381 |
40.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.041 |
40 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6386 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
37.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.041 |
30 |
41 |
|
[NA]C:204 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
6381 |
40.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.069 |
42 |
|
[NA]C:204 |
1 |
1 |
125 |
◊ |
A |
y-1,x,-z |
4_455 |
8 |
3 |
6355 |
37.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
39.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.069 |
31 |
43 |
|
[MPD]B:205 |
3 |
1 |
272 |
◊ |
[HEC]B:201 |
y-1,x+1,-z |
4_465 |
14 |
1 |
811 |
39.1 |
-2.2 |
0.998 |
0 |
0 |
0 |
0.035 |
32 |
44 |
|
[HEC]C:201 |
14 |
1 |
822 |
◊ |
[MPD]A:207 |
y-1,x,-z |
4_455 |
3 |
1 |
276 |
38.3 |
-2.2 |
1.000 |
0 |
0 |
0 |
0.016 |
33 |
45 |
|
[MPD]A:206 |
2 |
1 |
278 |
f |
[HEC]A:201 |
x,y,z |
1_555 |
13 |
1 |
809 |
36.5 |
-2.2 |
0.892 |
0 |
0 |
0 |
0.015 |
34 |
46 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
6381 |
35.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.021 |
35 |
47 |
|
[NA]C:202 |
1 |
1 |
125 |
f |
[HEC]C:201 |
x,y,z |
1_555 |
3 |
1 |
822 |
34.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
48 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6355 |
33.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.052 |
49 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6381 |
31.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
50 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6386 |
31.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
32.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
51 |
|
[HEC]B:201 |
5 |
1 |
811 |
◊ |
[HEC]B:201 |
y-1,x+1,-z |
4_465 |
5 |
1 |
811 |
31.6 |
-1.0 |
0.916 |
0 |
0 |
0 |
0.008 |
52 |
|
[HEC]C:201 |
5 |
1 |
822 |
◊ |
[HEC]A:201 |
y-1,x,-z |
4_455 |
4 |
1 |
809 |
31.5 |
-1.0 |
0.881 |
0 |
0 |
0 |
0.008 |
Average: |
31.6 |
-1.0 |
0.899 |
0 |
0 |
0 |
0.008 |
38 |
53 |
|
[NA]C:202 |
1 |
1 |
125 |
◊ |
A |
y-1,x,-z |
4_455 |
3 |
3 |
6355 |
30.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.019 |
39 |
54 |
|
[CL]B:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6381 |
27.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.014 |
40 |
55 |
|
[MPD]B:205 |
4 |
1 |
272 |
◊ |
[MPD]B:205 |
y-1,x+1,-z |
4_465 |
4 |
1 |
272 |
25.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.019 |
41 |
56 |
|
[MPD]A:207 |
3 |
1 |
276 |
f |
[MPD]A:206 |
x,y,z |
1_555 |
4 |
1 |
278 |
23.0 |
-2.2 |
0.000 |
1 |
0 |
0 |
0.019 |
42 |
57 |
|
[NA]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6386 |
14.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
43 |
58 |
|
[NA]B:202 |
1 |
1 |
125 |
f |
[HEC]B:201 |
x,y,z |
1_555 |
1 |
1 |
811 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
44 |
59 |
|
[CL]C:205 |
1 |
1 |
125 |
◊ |
[CL]B:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
60 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
[NI]A:202 |
x,y,z |
1_555 |
1 |
1 |
115 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|