## |
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 |
138 |
33 |
10709 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
10756 |
1314.8 |
-30.7 |
0.369 |
6 |
0 |
0 |
1.000 |
2 |
|
C |
134 |
35 |
10650 |
◊ |
A |
x,y,z |
1_555 |
131 |
32 |
10756 |
1308.9 |
-30.5 |
0.313 |
6 |
0 |
0 |
1.000 |
3 |
|
C |
133 |
32 |
10650 |
◊ |
B |
-y,-x,-z |
8_555 |
132 |
35 |
10709 |
1273.6 |
-29.6 |
0.354 |
7 |
0 |
0 |
1.000 |
Average: |
1299.1 |
-30.3 |
0.345 |
6 |
0 |
0 |
1.000 |
2 |
4 |
|
[XP4]C:301 |
36 |
1 |
994 |
f |
C |
x,y,z |
1_555 |
50 |
12 |
10650 |
372.9 |
-1.9 |
0.380 |
0 |
0 |
0 |
0.026 |
3 |
5 |
|
[XP4]B:302 |
31 |
1 |
964 |
f |
B |
x,y,z |
1_555 |
45 |
12 |
10709 |
325.5 |
-2.2 |
0.444 |
0 |
0 |
0 |
0.100 |
6 |
|
[XP4]B:301 |
34 |
1 |
891 |
f |
A |
x,y,z |
1_555 |
47 |
12 |
10756 |
325.1 |
-2.7 |
0.487 |
0 |
0 |
0 |
0.100 |
Average: |
325.3 |
-2.5 |
0.465 |
0 |
0 |
0 |
0.100 |
4 |
7 |
|
C |
40 |
15 |
10650 |
◊ |
B |
y,x,-z |
7_555 |
39 |
17 |
10709 |
267.8 |
-2.5 |
0.941 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
38 |
16 |
10756 |
◊ |
A |
y,x,-z |
7_555 |
38 |
16 |
10756 |
262.3 |
-2.4 |
0.935 |
0 |
0 |
0 |
0.000 |
Average: |
265.1 |
-2.5 |
0.938 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
[XP4]B:302 |
21 |
1 |
964 |
f |
[XP4]B:303 |
x,y,z |
1_555 |
13 |
1 |
583 |
157.2 |
1.9 |
0.228 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[XP4]B:301 |
16 |
1 |
891 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
10709 |
150.5 |
-1.7 |
0.331 |
0 |
0 |
0 |
0.044 |
11 |
|
[XP4]B:302 |
19 |
1 |
964 |
◊ |
C |
-y,-x,-z |
8_555 |
17 |
7 |
10650 |
149.3 |
-1.5 |
0.263 |
0 |
0 |
0 |
0.044 |
Average: |
149.9 |
-1.6 |
0.297 |
0 |
0 |
0 |
0.044 |
7 |
12 |
|
[XP4]C:301 |
16 |
1 |
994 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
10756 |
145.7 |
-1.8 |
0.251 |
0 |
0 |
0 |
0.024 |
8 |
13 |
|
[XP4]B:301 |
25 |
1 |
891 |
◊ |
[XP4]B:304 |
x,y,z |
1_555 |
16 |
1 |
549 |
142.1 |
2.0 |
0.293 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[XP4]C:301 |
13 |
1 |
994 |
◊ |
[XP4]B:303 |
-y,-x,-z |
8_555 |
16 |
1 |
583 |
130.0 |
3.2 |
0.312 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[XP4]B:302 |
14 |
1 |
964 |
f |
[XP4]B:304 |
x,y,z |
1_555 |
13 |
1 |
549 |
119.0 |
1.8 |
0.332 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[XP4]B:301 |
13 |
1 |
891 |
◊ |
[XP4]A:201 |
x,y,z |
1_555 |
12 |
1 |
550 |
115.9 |
2.4 |
0.402 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[XP4]C:302 |
8 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
10650 |
114.6 |
2.8 |
0.216 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[XP4]B:304 |
10 |
1 |
549 |
◊ |
[XP4]A:201 |
x,y,z |
1_555 |
13 |
1 |
550 |
113.6 |
2.8 |
0.328 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[XP4]B:305 |
10 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10709 |
100.0 |
2.0 |
0.044 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[XP4]C:301 |
14 |
1 |
994 |
f |
[XP4]A:201 |
x,y,z |
1_555 |
12 |
1 |
550 |
95.1 |
1.1 |
0.251 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[XP4]B:303 |
9 |
1 |
583 |
◊ |
[XP4]A:201 |
-y,-x,-z |
8_555 |
12 |
1 |
550 |
85.3 |
1.8 |
0.249 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[XP4]A:202 |
7 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10756 |
80.3 |
1.5 |
0.114 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[XP4]C:301 |
11 |
1 |
994 |
◊ |
[XP4]B:302 |
-y,-x,-z |
8_555 |
13 |
1 |
964 |
77.0 |
0.8 |
0.316 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[XP4]B:302 |
9 |
1 |
964 |
◊ |
[XP4]B:301 |
x,y,z |
1_555 |
10 |
1 |
891 |
64.7 |
0.1 |
0.323 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
7 |
2 |
10709 |
◊ |
A |
y,x,-z |
7_555 |
7 |
2 |
10756 |
62.2 |
1.2 |
0.958 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
7 |
2 |
10650 |
◊ |
C |
-x,-y,z |
2_555 |
7 |
2 |
10650 |
62.0 |
1.3 |
0.959 |
0 |
0 |
0 |
0.000 |
Average: |
62.1 |
1.2 |
0.958 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[XP4]C:302 |
6 |
1 |
358 |
f |
[XP4]A:202 |
x,y,z |
1_555 |
8 |
1 |
360 |
58.7 |
3.6 |
0.018 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[XP4]B:304 |
11 |
1 |
549 |
f |
[XP4]B:303 |
x,y,z |
1_555 |
11 |
1 |
583 |
58.5 |
0.8 |
0.188 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[XP4]C:302 |
7 |
1 |
358 |
◊ |
[XP4]B:305 |
-y,-x,-z |
8_555 |
5 |
1 |
359 |
53.3 |
2.6 |
0.023 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[XP4]B:303 |
7 |
1 |
583 |
◊ |
C |
-y,-x,-z |
8_555 |
5 |
3 |
10650 |
49.0 |
-0.3 |
0.242 |
0 |
0 |
0 |
0.004 |
25 |
31 |
|
[XP4]C:301 |
7 |
1 |
994 |
◊ |
[XP4]B:301 |
x,y,z |
1_555 |
7 |
1 |
891 |
46.0 |
-0.6 |
0.239 |
0 |
0 |
0 |
0.009 |
26 |
32 |
|
[XP4]B:305 |
4 |
1 |
359 |
◊ |
C |
-y,-x,-z |
8_555 |
4 |
3 |
10650 |
44.2 |
0.3 |
0.128 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[XP4]B:305 |
5 |
1 |
359 |
◊ |
[XP4]A:202 |
x,y,z |
1_555 |
6 |
1 |
360 |
44.0 |
1.6 |
0.015 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[XP4]C:301 |
4 |
1 |
994 |
◊ |
[XP4]B:302 |
y,x,-z |
7_555 |
5 |
1 |
964 |
40.1 |
1.1 |
0.536 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[XP4]B:304 |
6 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
10709 |
36.2 |
0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[XP4]C:302 |
7 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10756 |
32.8 |
0.5 |
0.043 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[XP4]A:202 |
5 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10709 |
32.3 |
0.4 |
0.059 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[XP4]B:301 |
3 |
1 |
891 |
◊ |
[XP4]B:305 |
x,y,z |
1_555 |
1 |
1 |
359 |
31.5 |
0.6 |
0.441 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
A |
7 |
3 |
10756 |
◊ |
A |
-x,-y+1,z |
2_565 |
7 |
3 |
10756 |
30.2 |
0.3 |
0.897 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[XP4]C:302 |
4 |
1 |
358 |
◊ |
[XP4]A:202 |
-y,-x,-z |
8_555 |
2 |
1 |
360 |
29.9 |
1.6 |
0.095 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[XP4]C:301 |
5 |
1 |
994 |
◊ |
[XP4]B:304 |
y,x,-z |
7_555 |
3 |
1 |
549 |
29.1 |
1.7 |
0.569 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[XP4]C:301 |
3 |
1 |
994 |
◊ |
B |
y,x,-z |
7_555 |
3 |
2 |
10709 |
28.1 |
1.2 |
0.687 |
2 |
0 |
0 |
0.000 |
37 |
43 |
|
C |
4 |
2 |
10650 |
◊ |
A |
y,x,-z |
7_555 |
4 |
2 |
10756 |
27.9 |
0.6 |
0.940 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
4 |
2 |
10709 |
◊ |
B |
-x,-y,z |
2_555 |
4 |
2 |
10709 |
26.3 |
0.6 |
0.944 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
0.6 |
0.942 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[XP4]A:201 |
5 |
1 |
550 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10756 |
26.2 |
0.3 |
0.329 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[XP4]A:202 |
1 |
1 |
360 |
◊ |
[XP4]A:202 |
-y,-x,-z |
8_555 |
1 |
1 |
360 |
26.1 |
1.7 |
0.600 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[XP4]B:303 |
2 |
1 |
583 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
10709 |
24.1 |
-0.8 |
0.235 |
0 |
0 |
0 |
0.011 |
41 |
48 |
|
[XP4]B:302 |
2 |
1 |
964 |
f |
[XP4]B:305 |
x,y,z |
1_555 |
3 |
1 |
359 |
24.1 |
0.4 |
0.159 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[XP4]B:305 |
2 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10756 |
23.0 |
0.5 |
0.260 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[XP4]B:302 |
4 |
1 |
964 |
◊ |
[XP4]B:302 |
-x,-y,z |
2_555 |
4 |
1 |
964 |
22.8 |
0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[XP4]B:301 |
2 |
1 |
891 |
◊ |
[XP4]A:202 |
x,y,z |
1_555 |
2 |
1 |
360 |
20.6 |
0.4 |
0.236 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[XP4]B:305 |
2 |
1 |
359 |
f |
[XP4]B:303 |
x,y,z |
1_555 |
2 |
1 |
583 |
19.2 |
0.2 |
0.200 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[XP4]A:202 |
2 |
1 |
360 |
f |
[XP4]A:201 |
x,y,z |
1_555 |
2 |
1 |
550 |
18.3 |
0.3 |
0.218 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[XP4]C:302 |
1 |
1 |
358 |
◊ |
[XP4]B:303 |
-y,-x,-z |
8_555 |
2 |
1 |
583 |
16.5 |
0.3 |
0.262 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[XP4]B:302 |
1 |
1 |
964 |
◊ |
[XP4]B:303 |
-x,-y,z |
2_555 |
1 |
1 |
583 |
16.5 |
0.7 |
0.553 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[XP4]A:202 |
2 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
10650 |
16.2 |
0.4 |
0.275 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
[XP4]C:302 |
2 |
1 |
358 |
f |
[XP4]A:201 |
x,y,z |
1_555 |
1 |
1 |
550 |
14.2 |
0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
[XP4]B:305 |
3 |
1 |
359 |
f |
[XP4]B:304 |
x,y,z |
1_555 |
1 |
1 |
549 |
11.1 |
0.1 |
0.165 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[XP4]B:304 |
1 |
1 |
549 |
◊ |
[XP4]A:201 |
y,x,-z |
7_555 |
2 |
1 |
550 |
9.6 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[XP4]A:201 |
1 |
1 |
550 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10650 |
8.4 |
-0.3 |
0.390 |
0 |
0 |
0 |
0.004 |
54 |
61 |
|
[XP4]B:303 |
1 |
1 |
583 |
◊ |
[XP4]B:303 |
-x,-y,z |
2_555 |
1 |
1 |
583 |
7.9 |
0.5 |
0.444 |
0 |
0 |
0 |
0.000 |
55 |
62 |
|
[XP4]B:304 |
1 |
1 |
549 |
◊ |
[XP4]B:303 |
-x,-y,z |
2_555 |
1 |
1 |
583 |
6.4 |
0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
56 |
63 |
|
[XP4]A:201 |
1 |
1 |
550 |
◊ |
[XP4]A:201 |
y,x,-z |
7_555 |
1 |
1 |
550 |
6.1 |
0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
57 |
64 |
|
[XP4]C:301 |
3 |
1 |
994 |
◊ |
B |
-y,-x,-z |
8_555 |
1 |
1 |
10709 |
5.3 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.006 |
65 |
|
[XP4]B:301 |
3 |
1 |
891 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10650 |
4.5 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.006 |
66 |
|
[XP4]B:302 |
2 |
1 |
964 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10756 |
4.4 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.006 |
Average: |
4.7 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.006 |
58 |
67 |
|
[XP4]C:301 |
2 |
1 |
994 |
f |
[XP4]C:302 |
x,y,z |
1_555 |
1 |
1 |
358 |
2.8 |
0.1 |
0.187 |
0 |
0 |
0 |
0.000 |
|