| ## |
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 |
|
D |
81 |
25 |
8138 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
8021 |
697.2 |
-1.3 |
0.546 |
11 |
0 |
0 |
0.058 |
| 2 |
2 |
|
D |
60 |
16 |
8138 |
◊ |
A |
x,y,z |
1_555 |
68 |
25 |
7991 |
561.0 |
-1.3 |
0.576 |
10 |
0 |
0 |
0.034 |
| 3 |
3 |
|
A |
68 |
20 |
7991 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
62 |
13 |
7906 |
493.5 |
-2.6 |
0.435 |
6 |
0 |
0 |
0.031 |
| 4 |
4 |
|
D |
39 |
14 |
8138 |
◊ |
D |
y,x,-z+1 |
4_556 |
39 |
14 |
8138 |
386.0 |
-0.3 |
0.641 |
10 |
0 |
0 |
0.050 |
| 5 |
5 |
|
C |
38 |
13 |
8021 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
7906 |
325.5 |
-1.1 |
0.491 |
7 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
32 |
9 |
7991 |
x |
A |
-y+1,x-y,z-1/3 |
2_654 |
35 |
10 |
7991 |
288.9 |
-0.8 |
0.511 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
D |
26 |
9 |
8138 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
26 |
9 |
8138 |
266.7 |
0.7 |
0.738 |
2 |
2 |
0 |
0.000 |
| 8 |
8 |
|
D |
33 |
11 |
8138 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
35 |
14 |
7906 |
256.6 |
-1.8 |
0.419 |
3 |
0 |
0 |
0.018 |
| 9 |
9 |
|
B |
27 |
6 |
7906 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
7991 |
255.4 |
0.1 |
0.672 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
D |
28 |
10 |
8138 |
◊ |
C |
x,y,z-1 |
1_554 |
23 |
10 |
8021 |
230.2 |
-1.2 |
0.424 |
3 |
0 |
0 |
0.011 |
| 11 |
11 |
|
A |
20 |
7 |
7991 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
9 |
8021 |
213.0 |
-0.3 |
0.513 |
6 |
0 |
0 |
0.012 |
| 12 |
12 |
|
D |
27 |
11 |
8138 |
◊ |
C |
y,x,-z+1 |
4_556 |
23 |
8 |
8021 |
196.0 |
-2.7 |
0.228 |
1 |
0 |
0 |
0.027 |
| 13 |
13 |
|
A |
18 |
8 |
7991 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
8 |
7906 |
172.1 |
-0.7 |
0.477 |
3 |
0 |
0 |
0.000 |
| 14 |
14 |
|
B |
18 |
5 |
7906 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
19 |
6 |
7991 |
166.4 |
0.0 |
0.566 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
D |
18 |
6 |
8138 |
◊ |
C |
x-y,-y,-z+4/3 |
5_556 |
8 |
4 |
8021 |
114.7 |
-0.7 |
0.462 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
C |
15 |
5 |
8021 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
11 |
4 |
7991 |
102.1 |
0.7 |
0.690 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
C |
11 |
3 |
8021 |
◊ |
C |
x-y,-y,-z+4/3 |
5_556 |
11 |
3 |
8021 |
96.6 |
-0.5 |
0.466 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7906 |
71.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.227 |
19 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8138 |
69.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.227 |
20 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8021 |
68.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.227 |
21 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7991 |
67.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.227 |
| Average: |
69.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.227 |
| 19 |
22 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8138 |
65.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.206 |
23 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7991 |
48.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.206 |
| Average: |
56.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.206 |
| 20 |
24 |
|
[CL]C:406 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8021 |
64.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.085 |
| 21 |
25 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
8021 |
64.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.088 |
| 22 |
26 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7991 |
60.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 23 |
27 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7991 |
60.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.184 |
28 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7906 |
59.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.184 |
29 |
|
[CL]C:405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8021 |
59.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.184 |
30 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8138 |
59.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
59.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.184 |
| 24 |
31 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8021 |
58.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.078 |
32 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7991 |
51.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
55.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.078 |
| 25 |
33 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7906 |
57.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.079 |
34 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
8138 |
50.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
54.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
| 26 |
35 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8138 |
52.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.141 |
| 27 |
36 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7991 |
47.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.059 |
37 |
|
[CL]A:407 |
1 |
1 |
125 |
f |
B |
-y+1,x-y,z-1/3 |
2_654 |
6 |
3 |
7906 |
30.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
39.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.059 |
| 28 |
38 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
8021 |
47.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.059 |
| 29 |
39 |
|
[CL]A:407 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7991 |
47.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.034 |
| 30 |
40 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
6 |
4 |
7906 |
44.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| 31 |
41 |
|
[CL]B:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7906 |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
A |
5 |
3 |
7991 |
f |
[CL]B:402 |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
125 |
41.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.030 |
| 33 |
43 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7991 |
40.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| 34 |
44 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
y,x,-z+1 |
4_556 |
8 |
4 |
8138 |
40.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.103 |
| 35 |
45 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8138 |
38.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 36 |
46 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
8138 |
37.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
| 37 |
47 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
C |
y,x,-z+1 |
4_556 |
4 |
3 |
8021 |
33.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| 38 |
48 |
|
A |
5 |
3 |
7991 |
◊ |
[CL]C:404 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
32.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 39 |
49 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8138 |
29.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 40 |
50 |
|
B |
4 |
1 |
7906 |
◊ |
A |
y,x,-z+1 |
4_556 |
2 |
2 |
7991 |
29.4 |
-0.9 |
0.133 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
6 |
3 |
7906 |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.020 |
| 42 |
52 |
|
A |
3 |
1 |
7991 |
◊ |
[CL]A:405 |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
125 |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
53 |
|
[CL]A:407 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8138 |
27.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 44 |
54 |
|
A |
4 |
1 |
7991 |
◊ |
[CL]C:406 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
22.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 45 |
55 |
|
A |
2 |
1 |
7991 |
◊ |
[CL]C:402 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
22.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 46 |
56 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
2 |
2 |
7906 |
22.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 47 |
57 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
3 |
8021 |
13.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 48 |
58 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
8021 |
10.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 49 |
59 |
|
[CL]C:406 |
1 |
1 |
125 |
f |
[CL]C:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
|