| ## |
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 |
179 |
41 |
12896 |
◊ |
A |
x,y,z |
1_555 |
174 |
40 |
12696 |
1406.0 |
6.1 |
0.959 |
23 |
0 |
0 |
0.043 |
2 |
|
D |
164 |
37 |
12765 |
◊ |
C |
x,y,z |
1_555 |
169 |
38 |
12602 |
1369.3 |
6.5 |
0.963 |
26 |
0 |
0 |
0.043 |
| Average: |
1387.7 |
6.3 |
0.961 |
25 |
0 |
0 |
0.043 |
| 2 |
3 |
|
F |
72 |
8 |
1883 |
◊ |
C |
x,y,z |
1_555 |
128 |
40 |
12602 |
877.0 |
5.8 |
0.359 |
27 |
10 |
0 |
0.019 |
| 3 |
4 |
|
E |
61 |
7 |
1798 |
◊ |
A |
x,y,z |
1_555 |
94 |
33 |
12696 |
745.8 |
4.5 |
0.400 |
18 |
3 |
0 |
0.000 |
| 4 |
5 |
|
B |
74 |
21 |
12896 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
88 |
28 |
12765 |
699.0 |
-1.2 |
0.647 |
11 |
3 |
0 |
0.067 |
| 5 |
6 |
|
A |
82 |
29 |
12696 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
83 |
28 |
12602 |
695.6 |
2.7 |
0.883 |
11 |
4 |
0 |
0.001 |
| 6 |
7 |
|
C |
77 |
23 |
12602 |
◊ |
A |
x,y,z |
1_555 |
69 |
24 |
12696 |
644.8 |
-6.6 |
0.187 |
3 |
0 |
0 |
0.003 |
| 7 |
8 |
|
B |
28 |
6 |
12896 |
◊ |
C |
x,y-1,z |
1_545 |
29 |
7 |
12602 |
251.2 |
1.5 |
0.817 |
6 |
0 |
0 |
0.000 |
| 8 |
9 |
|
C |
23 |
9 |
12602 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
7 |
12765 |
192.5 |
0.5 |
0.704 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
22 |
7 |
12896 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
6 |
12602 |
191.4 |
2.6 |
0.894 |
2 |
1 |
0 |
0.000 |
| 10 |
11 |
|
B |
22 |
6 |
12896 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
6 |
12602 |
189.1 |
0.9 |
0.758 |
1 |
1 |
0 |
0.000 |
| 11 |
12 |
|
E |
16 |
2 |
1798 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
12896 |
182.6 |
0.2 |
0.385 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
25 |
9 |
12896 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
25 |
8 |
12765 |
182.0 |
-0.7 |
0.499 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
E |
23 |
5 |
1798 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
12602 |
161.5 |
0.8 |
0.367 |
0 |
1 |
0 |
0.000 |
| 14 |
15 |
|
B |
13 |
5 |
12896 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
12696 |
115.5 |
0.4 |
0.660 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
A |
11 |
4 |
12696 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
12765 |
111.1 |
2.2 |
0.880 |
2 |
4 |
0 |
0.000 |
| 16 |
17 |
|
A |
16 |
6 |
12696 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
4 |
12765 |
101.7 |
-0.0 |
0.621 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
11 |
6 |
12696 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
17 |
6 |
12765 |
98.3 |
-1.5 |
0.246 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
D |
11 |
4 |
12765 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
12696 |
97.2 |
-0.9 |
0.402 |
1 |
0 |
0 |
0.001 |
20 |
|
C |
8 |
5 |
12602 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12896 |
68.3 |
-1.4 |
0.162 |
0 |
0 |
0 |
0.001 |
| Average: |
82.8 |
-1.2 |
0.282 |
1 |
0 |
0 |
0.001 |
| 19 |
21 |
|
E |
13 |
3 |
1798 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
1883 |
93.6 |
1.6 |
0.331 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
A |
14 |
5 |
12696 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
1883 |
92.4 |
1.1 |
0.509 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
A |
11 |
4 |
12696 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
12696 |
79.4 |
1.2 |
0.832 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
1 |
1 |
12602 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12602 |
3.4 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
| Average: |
41.4 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
D |
14 |
5 |
12765 |
x |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
4 |
12765 |
77.2 |
0.3 |
0.672 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
F |
5 |
1 |
1883 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12765 |
67.7 |
1.1 |
0.463 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
B |
8 |
3 |
12896 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
2 |
1883 |
57.7 |
-0.1 |
0.385 |
1 |
2 |
0 |
0.000 |
| 25 |
28 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
D |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
4 |
12765 |
40.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.084 |
| 26 |
29 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
D |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
6 |
12765 |
39.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.070 |
| 27 |
30 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12696 |
39.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.070 |
31 |
|
[CA]C:302 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
12602 |
36.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
38.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| 28 |
32 |
|
[CA]D:301 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12765 |
38.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.084 |
| 29 |
33 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
12696 |
38.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.164 |
34 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12896 |
38.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
38.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.164 |
| 30 |
35 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
D |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
4 |
12765 |
38.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| 31 |
36 |
|
A |
6 |
3 |
12696 |
◊ |
[CA]C:302 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
85 |
37.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 32 |
37 |
|
[CA]C:305 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
12602 |
37.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.129 |
38 |
|
[CA]A:308 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12896 |
34.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.129 |
39 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12696 |
32.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.129 |
40 |
|
[CA]C:307 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
12765 |
32.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
33.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.129 |
| 33 |
41 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
C |
x,y-1,z |
1_545 |
6 |
2 |
12602 |
34.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 34 |
42 |
|
[CA]C:306 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12765 |
34.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.124 |
43 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12696 |
33.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.124 |
44 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12602 |
31.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.124 |
45 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12896 |
30.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
32.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.124 |
| 35 |
46 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12602 |
33.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.128 |
47 |
|
[CA]C:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
12765 |
33.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.128 |
48 |
|
[CA]A:306 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12696 |
33.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.128 |
49 |
|
[CA]A:307 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12896 |
32.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
33.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.128 |
| 36 |
50 |
|
[CA]C:303 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12602 |
33.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.126 |
51 |
|
[CA]A:306 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12896 |
33.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.126 |
52 |
|
[CA]A:307 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12696 |
32.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.126 |
53 |
|
[CA]C:304 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12765 |
32.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
32.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.126 |
| 37 |
54 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12896 |
33.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.113 |
55 |
|
[CA]C:306 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12602 |
32.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.113 |
56 |
|
[CA]C:301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12765 |
30.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.113 |
57 |
|
[CA]A:305 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12696 |
29.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
31.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.113 |
| 38 |
58 |
|
[CA]A:303 |
1 |
1 |
85 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
12602 |
33.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 39 |
59 |
|
[CA]B:305 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12896 |
31.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12896 |
31.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.054 |
| 41 |
61 |
|
[CA]A:308 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12696 |
31.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.112 |
62 |
|
[CA]C:307 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12602 |
31.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.112 |
63 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12896 |
31.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.112 |
64 |
|
[CA]C:305 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12765 |
28.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.112 |
| Average: |
30.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.112 |
| 42 |
65 |
|
[CA]B:304 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12896 |
27.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| 43 |
66 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12896 |
25.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 44 |
67 |
|
A |
3 |
1 |
12696 |
◊ |
[CA]A:304 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
85 |
25.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
12602 |
17.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
[CA]A:305 |
1 |
1 |
85 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
12765 |
13.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
70 |
|
C |
2 |
1 |
12602 |
◊ |
[CA]D:301 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
85 |
12.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
71 |
|
B |
2 |
1 |
12896 |
◊ |
[CA]D:301 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
85 |
10.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| 49 |
72 |
|
[CA]C:301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12696 |
7.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
73 |
|
[CA]C:307 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12696 |
6.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[CA]A:308 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12602 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
75 |
|
B |
1 |
1 |
12896 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
12896 |
5.6 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
12765 |
5.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
77 |
|
D |
1 |
1 |
12765 |
◊ |
[CA]C:305 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
85 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|