## |
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 |
193 |
47 |
11197 |
◊ |
B |
x,y,z |
1_555 |
192 |
47 |
11232 |
1735.9 |
-20.8 |
0.064 |
18 |
20 |
0 |
0.380 |
2 |
|
D |
186 |
46 |
11217 |
◊ |
A |
x,y,z |
1_555 |
187 |
47 |
11297 |
1706.4 |
-20.5 |
0.056 |
18 |
20 |
0 |
0.380 |
Average: |
1721.1 |
-20.7 |
0.060 |
18 |
20 |
0 |
0.380 |
2 |
3 |
|
C |
32 |
12 |
11197 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
13 |
11232 |
383.9 |
-5.2 |
0.134 |
2 |
2 |
0 |
0.000 |
3 |
4 |
|
C |
28 |
12 |
11197 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
31 |
11 |
11217 |
261.4 |
-0.7 |
0.587 |
1 |
4 |
0 |
0.000 |
4 |
5 |
|
B |
29 |
12 |
11232 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
11297 |
237.1 |
-2.3 |
0.353 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
23 |
8 |
11217 |
◊ |
C |
x-1,y,z-1 |
1_454 |
25 |
6 |
11197 |
221.7 |
3.1 |
0.893 |
6 |
1 |
0 |
0.000 |
7 |
|
A |
25 |
6 |
11297 |
◊ |
B |
x-1,y,z-1 |
1_454 |
22 |
7 |
11232 |
209.6 |
2.6 |
0.878 |
5 |
1 |
0 |
0.000 |
Average: |
215.6 |
2.9 |
0.886 |
6 |
1 |
0 |
0.000 |
6 |
8 |
|
C |
23 |
7 |
11197 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
11217 |
174.7 |
-1.5 |
0.413 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
17 |
5 |
11197 |
x |
C |
x-1,y,z |
1_455 |
17 |
6 |
11197 |
158.5 |
0.2 |
0.614 |
0 |
1 |
0 |
0.000 |
10 |
|
A |
17 |
6 |
11297 |
x |
A |
x-1,y,z |
1_455 |
18 |
5 |
11297 |
156.9 |
0.6 |
0.701 |
3 |
2 |
0 |
0.000 |
11 |
|
B |
17 |
6 |
11232 |
x |
B |
x-1,y,z |
1_455 |
18 |
5 |
11232 |
155.2 |
0.4 |
0.680 |
1 |
2 |
0 |
0.000 |
12 |
|
D |
17 |
5 |
11217 |
x |
D |
x-1,y,z |
1_455 |
15 |
6 |
11217 |
151.3 |
0.3 |
0.669 |
1 |
2 |
0 |
0.000 |
Average: |
155.5 |
0.4 |
0.666 |
1 |
2 |
0 |
0.000 |
8 |
13 |
|
D |
22 |
11 |
11217 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
11 |
11232 |
141.1 |
-0.3 |
0.600 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[GOL]B:260 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
11232 |
125.1 |
1.0 |
0.701 |
7 |
0 |
0 |
0.050 |
15 |
|
[GOL]D:259 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
11217 |
124.9 |
1.1 |
0.748 |
7 |
0 |
0 |
0.050 |
16 |
|
[GOL]C:260 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
11197 |
124.5 |
1.0 |
0.697 |
7 |
0 |
0 |
0.050 |
17 |
|
[GOL]A:260 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11297 |
124.3 |
1.0 |
0.740 |
7 |
0 |
0 |
0.050 |
Average: |
124.7 |
1.0 |
0.722 |
7 |
0 |
0 |
0.050 |
10 |
18 |
|
[GOL]D:260 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
11217 |
116.9 |
-1.0 |
0.464 |
4 |
0 |
0 |
0.033 |
11 |
19 |
|
[GOL]B:259 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11232 |
115.1 |
-0.9 |
0.500 |
4 |
0 |
0 |
0.029 |
12 |
20 |
|
[GOL]A:259 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11297 |
114.9 |
-1.0 |
0.464 |
2 |
0 |
0 |
0.023 |
13 |
21 |
|
[GOL]C:261 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
11197 |
113.4 |
-0.9 |
0.478 |
4 |
0 |
0 |
0.028 |
14 |
22 |
|
B |
10 |
3 |
11232 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
11217 |
76.9 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[ACT]D:261 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11297 |
75.9 |
-0.7 |
0.579 |
0 |
0 |
0 |
0.009 |
16 |
24 |
|
[ACT]B:261 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
11197 |
67.4 |
-0.7 |
0.607 |
0 |
0 |
0 |
0.007 |
17 |
25 |
|
[ACT]D:261 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11217 |
66.5 |
0.5 |
0.745 |
2 |
0 |
0 |
0.005 |
18 |
26 |
|
B |
9 |
5 |
11232 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
11217 |
65.0 |
-0.4 |
0.380 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[CL]B:258 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11232 |
63.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.113 |
28 |
|
[CL]D:258 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11217 |
61.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
62.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.113 |
20 |
29 |
|
[ACT]C:262 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
11232 |
59.5 |
-0.5 |
0.584 |
0 |
0 |
0 |
0.005 |
21 |
30 |
|
[ACT]B:261 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11232 |
58.9 |
0.4 |
0.717 |
2 |
0 |
0 |
0.005 |
22 |
31 |
|
[ACT]A:261 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
11217 |
58.9 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.007 |
23 |
32 |
|
[ACT]A:261 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11297 |
56.3 |
0.4 |
0.715 |
2 |
0 |
0 |
0.006 |
24 |
33 |
|
[ACT]C:262 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11197 |
55.5 |
0.3 |
0.714 |
2 |
0 |
0 |
0.006 |
25 |
34 |
|
D |
9 |
6 |
11217 |
f |
[NA]C:258 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
54.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.070 |
35 |
|
[NA]A:258 |
1 |
1 |
125 |
f |
B |
x-1,y,z-1 |
1_454 |
9 |
6 |
11232 |
54.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
54.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.070 |
26 |
36 |
|
[NA]C:259 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11197 |
50.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.063 |
27 |
37 |
|
[NA]A:258 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11297 |
44.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.005 |
38 |
|
[NA]C:258 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11197 |
43.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
44.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.005 |
28 |
39 |
|
D |
4 |
2 |
11217 |
◊ |
[ACT]C:262 |
x-1,y,z-1 |
1_454 |
3 |
1 |
183 |
41.2 |
0.3 |
0.774 |
1 |
0 |
0 |
0.000 |
40 |
|
[ACT]A:261 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
2 |
11232 |
39.8 |
0.1 |
0.751 |
1 |
0 |
0 |
0.000 |
Average: |
40.5 |
0.2 |
0.763 |
1 |
0 |
0 |
0.000 |
29 |
41 |
|
[CA]C:257 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
11197 |
37.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.255 |
42 |
|
[CA]A:257 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
11297 |
37.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.255 |
43 |
|
[CA]B:257 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11232 |
37.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.255 |
44 |
|
[CA]D:257 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
11217 |
37.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.255 |
Average: |
37.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.255 |
30 |
45 |
|
[ACT]B:261 |
3 |
1 |
183 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
11217 |
32.0 |
-0.5 |
0.616 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[NA]C:259 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
11232 |
31.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
47 |
|
[ACT]A:261 |
1 |
1 |
184 |
◊ |
[ACT]C:262 |
x-1,y,z-1 |
1_454 |
1 |
1 |
183 |
16.6 |
-0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[CL]B:258 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11297 |
15.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[GOL]D:259 |
3 |
1 |
219 |
f |
[CA]D:257 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
50 |
|
[GOL]B:260 |
3 |
1 |
218 |
f |
[CA]B:257 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
51 |
|
[GOL]C:260 |
3 |
1 |
220 |
f |
[CA]C:257 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
52 |
|
[GOL]A:260 |
3 |
1 |
217 |
f |
[CA]A:257 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
14.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
35 |
53 |
|
[NA]C:258 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11232 |
11.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
54 |
|
[NA]A:258 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11217 |
10.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
10.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
55 |
|
[GOL]D:259 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11297 |
5.6 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
56 |
|
[GOL]C:260 |
1 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11232 |
5.5 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
57 |
|
[GOL]B:260 |
1 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11197 |
5.2 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
58 |
|
[GOL]A:260 |
1 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11217 |
5.0 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
A |
1 |
1 |
11297 |
◊ |
[ACT]C:262 |
x-1,y,z-1 |
1_454 |
1 |
1 |
183 |
0.9 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
[ACT]A:261 |
1 |
1 |
184 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
11197 |
0.4 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
|