| ## |
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 |
|
I |
164 |
31 |
7126 |
◊ |
H |
x,y,z |
1_555 |
163 |
31 |
7090 |
1541.2 |
-19.1 |
0.744 |
74 |
0 |
0 |
1.000 |
2 |
|
F |
168 |
31 |
7056 |
◊ |
E |
x,y,z |
1_555 |
164 |
30 |
7293 |
1492.6 |
-22.4 |
0.675 |
81 |
0 |
0 |
1.000 |
3 |
|
C |
165 |
31 |
7168 |
◊ |
B |
x,y,z |
1_555 |
157 |
30 |
7246 |
1489.8 |
-21.5 |
0.680 |
75 |
0 |
0 |
1.000 |
| Average: |
1507.9 |
-21.0 |
0.699 |
77 |
0 |
0 |
1.000 |
| 2 |
4 |
|
F |
141 |
19 |
7056 |
◊ |
D |
x,y,z |
1_555 |
158 |
51 |
13646 |
1368.6 |
-20.9 |
0.380 |
14 |
0 |
0 |
0.574 |
5 |
|
I |
138 |
19 |
7126 |
◊ |
G |
x,y,z |
1_555 |
156 |
50 |
13715 |
1339.3 |
-20.4 |
0.340 |
13 |
0 |
0 |
0.574 |
6 |
|
C |
139 |
19 |
7168 |
◊ |
A |
x,y,z |
1_555 |
157 |
48 |
13578 |
1322.4 |
-18.3 |
0.416 |
16 |
0 |
0 |
0.574 |
| Average: |
1343.4 |
-19.9 |
0.379 |
14 |
0 |
0 |
0.574 |
| 3 |
7 |
|
E |
139 |
20 |
7293 |
◊ |
D |
x,y,z |
1_555 |
150 |
47 |
13646 |
1356.3 |
-18.5 |
0.437 |
25 |
0 |
0 |
0.599 |
8 |
|
B |
138 |
20 |
7246 |
◊ |
A |
x,y,z |
1_555 |
153 |
47 |
13578 |
1338.0 |
-16.4 |
0.502 |
22 |
0 |
0 |
0.599 |
9 |
|
H |
136 |
21 |
7090 |
◊ |
G |
x,y,z |
1_555 |
148 |
44 |
13715 |
1307.6 |
-17.4 |
0.488 |
19 |
0 |
0 |
0.599 |
| Average: |
1334.0 |
-17.4 |
0.476 |
22 |
0 |
0 |
0.599 |
| 4 |
10 |
|
A |
59 |
19 |
13578 |
◊ |
G |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
62 |
17 |
13715 |
536.5 |
-2.6 |
0.454 |
6 |
0 |
0 |
0.000 |
11 |
|
D |
60 |
17 |
13646 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
60 |
17 |
13646 |
511.2 |
-2.6 |
0.477 |
8 |
0 |
0 |
0.000 |
| Average: |
523.9 |
-2.6 |
0.465 |
7 |
0 |
0 |
0.000 |
| 5 |
12 |
|
D |
46 |
11 |
13646 |
◊ |
A |
x,y,z |
1_555 |
45 |
11 |
13578 |
420.6 |
-3.8 |
0.295 |
1 |
0 |
0 |
0.059 |
13 |
|
G |
46 |
13 |
13715 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
47 |
13 |
13715 |
395.0 |
-5.4 |
0.199 |
2 |
0 |
0 |
0.059 |
| Average: |
407.8 |
-4.6 |
0.247 |
2 |
0 |
0 |
0.059 |
| 6 |
14 |
|
B |
37 |
4 |
7246 |
◊ |
E |
-x+1,-y,z-1/2 |
2_654 |
35 |
3 |
7293 |
231.0 |
3.5 |
0.884 |
0 |
0 |
0 |
0.000 |
| 7 |
15 |
|
C |
24 |
4 |
7168 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
19 |
7 |
13715 |
199.2 |
-3.8 |
0.455 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
C |
27 |
4 |
7168 |
◊ |
E |
-x+1,-y,z-1/2 |
2_654 |
18 |
3 |
7293 |
158.1 |
6.4 |
0.942 |
2 |
0 |
0 |
0.000 |
17 |
|
B |
15 |
3 |
7246 |
◊ |
F |
-x+1,-y,z-1/2 |
2_654 |
21 |
3 |
7056 |
120.4 |
4.8 |
0.918 |
1 |
0 |
0 |
0.000 |
| Average: |
139.3 |
5.6 |
0.930 |
2 |
0 |
0 |
0.000 |
| 9 |
18 |
|
H |
16 |
2 |
7090 |
◊ |
H |
x,-y,-z+1 |
4_556 |
16 |
2 |
7090 |
133.7 |
3.3 |
0.868 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
G |
13 |
3 |
13715 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
13646 |
131.2 |
0.2 |
0.636 |
2 |
1 |
0 |
0.000 |
20 |
|
D |
8 |
2 |
13646 |
◊ |
A |
x,-y,-z |
4_555 |
13 |
5 |
13578 |
87.4 |
0.6 |
0.697 |
2 |
2 |
0 |
0.000 |
| Average: |
109.3 |
0.4 |
0.666 |
2 |
2 |
0 |
0.000 |
| 11 |
21 |
|
F |
17 |
4 |
7056 |
◊ |
A |
x,-y,-z |
4_555 |
17 |
5 |
13578 |
119.5 |
-3.3 |
0.413 |
2 |
0 |
0 |
0.000 |
| 12 |
22 |
|
H |
13 |
4 |
7090 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
13646 |
79.8 |
-3.2 |
0.340 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
E |
9 |
2 |
7293 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13578 |
75.0 |
-2.6 |
0.360 |
1 |
0 |
0 |
0.076 |
24 |
|
H |
6 |
2 |
7090 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
11 |
4 |
13715 |
68.6 |
-3.6 |
0.200 |
1 |
0 |
0 |
0.076 |
25 |
|
B |
7 |
2 |
7246 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13646 |
53.2 |
-2.3 |
0.309 |
0 |
0 |
0 |
0.076 |
| Average: |
65.6 |
-2.8 |
0.290 |
1 |
0 |
0 |
0.076 |
| 14 |
26 |
|
I |
8 |
3 |
7126 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
13646 |
63.6 |
-1.8 |
0.427 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
G |
9 |
4 |
13715 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
1 |
13578 |
62.6 |
-0.1 |
0.601 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
D |
8 |
4 |
13646 |
◊ |
I |
x-1/2,y+1/2,z |
5_455 |
6 |
2 |
7126 |
58.6 |
-1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
E |
8 |
3 |
7293 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
13578 |
49.5 |
-0.3 |
0.620 |
2 |
0 |
0 |
0.000 |
30 |
|
B |
6 |
3 |
7246 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
4 |
2 |
13715 |
22.8 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| Average: |
36.2 |
-0.1 |
0.645 |
1 |
0 |
0 |
0.000 |
| 18 |
31 |
|
C |
3 |
1 |
7168 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
7 |
4 |
13715 |
37.8 |
-0.9 |
0.429 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
I |
5 |
2 |
7126 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
3 |
13646 |
32.7 |
-1.2 |
0.434 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
C |
5 |
1 |
7168 |
◊ |
F |
-x+1,-y,z-1/2 |
2_654 |
7 |
1 |
7056 |
32.4 |
-0.6 |
0.517 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13578 |
29.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.132 |
35 |
|
[CA]G:305 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
13715 |
27.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.132 |
36 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
13646 |
27.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
28.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.132 |
| 22 |
37 |
|
[CA]D:304 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13646 |
28.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.119 |
38 |
|
[CA]G:306 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
13715 |
27.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.119 |
39 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13578 |
27.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
27.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.119 |
| 23 |
40 |
|
[CA]G:306 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
7090 |
25.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.104 |
41 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7246 |
23.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.104 |
42 |
|
[CA]D:304 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7293 |
23.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
24.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| 24 |
43 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7168 |
24.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.101 |
44 |
|
[CA]D:304 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
7056 |
23.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
45 |
|
[CA]G:306 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
7126 |
22.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
23.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 25 |
46 |
|
[CA]G:305 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
5 |
1 |
7126 |
24.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
47 |
|
[CA]D:303 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
7056 |
23.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.100 |
48 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
7168 |
23.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
23.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 26 |
49 |
|
[CA]D:303 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7293 |
22.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.091 |
50 |
|
[CA]G:305 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7090 |
22.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
51 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7246 |
21.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
22.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| 27 |
52 |
|
H |
5 |
3 |
7090 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7246 |
16.3 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
F |
2 |
2 |
7056 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
13715 |
14.7 |
-0.5 |
0.466 |
0 |
0 |
0 |
0.000 |
| 29 |
54 |
|
E |
3 |
2 |
7293 |
◊ |
E |
x,-y,-z |
4_555 |
3 |
2 |
7293 |
11.6 |
-1.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| 30 |
55 |
|
G |
2 |
2 |
13715 |
◊ |
E |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
7293 |
5.1 |
-0.2 |
0.356 |
0 |
0 |
0 |
0.000 |
|