| ## |
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 |
|
K |
75 |
25 |
14211 |
◊ |
J |
x,y,z |
1_555 |
86 |
26 |
13806 |
821.8 |
-16.4 |
0.142 |
5 |
2 |
0 |
1.000 |
2 |
|
H |
68 |
22 |
14101 |
◊ |
G |
x,y,z |
1_555 |
82 |
26 |
14008 |
797.0 |
-16.6 |
0.087 |
6 |
1 |
0 |
1.000 |
3 |
|
I |
83 |
26 |
13604 |
◊ |
G |
x,y,z |
1_555 |
69 |
21 |
14008 |
761.2 |
-15.9 |
0.113 |
5 |
1 |
0 |
1.000 |
4 |
|
C |
82 |
26 |
13786 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
13913 |
759.3 |
-17.3 |
0.080 |
3 |
0 |
0 |
1.000 |
5 |
|
B |
67 |
23 |
14198 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
13913 |
757.5 |
-15.2 |
0.106 |
3 |
0 |
0 |
1.000 |
6 |
|
E |
70 |
22 |
13906 |
◊ |
D |
x,y,z |
1_555 |
85 |
27 |
13986 |
750.8 |
-18.3 |
0.042 |
3 |
0 |
0 |
1.000 |
7 |
|
F |
82 |
25 |
13258 |
◊ |
D |
x,y,z |
1_555 |
67 |
21 |
13986 |
715.1 |
-17.3 |
0.068 |
2 |
0 |
0 |
1.000 |
8 |
|
L |
73 |
24 |
13617 |
◊ |
J |
x,y,z |
1_555 |
69 |
22 |
13806 |
694.2 |
-16.8 |
0.089 |
4 |
0 |
0 |
1.000 |
9 |
|
L |
53 |
18 |
13617 |
◊ |
K |
x,y,z |
1_555 |
70 |
21 |
14211 |
641.9 |
-14.8 |
0.058 |
3 |
0 |
0 |
1.000 |
10 |
|
F |
59 |
19 |
13258 |
◊ |
E |
x,y,z |
1_555 |
68 |
21 |
13906 |
620.7 |
-16.1 |
0.042 |
3 |
0 |
0 |
1.000 |
11 |
|
C |
56 |
16 |
13786 |
◊ |
B |
x,y,z |
1_555 |
69 |
20 |
14198 |
618.2 |
-16.8 |
0.031 |
2 |
0 |
0 |
1.000 |
12 |
|
I |
53 |
20 |
13604 |
◊ |
H |
x,y,z |
1_555 |
62 |
20 |
14101 |
614.6 |
-14.9 |
0.044 |
4 |
0 |
0 |
1.000 |
| Average: |
712.7 |
-16.4 |
0.075 |
4 |
0 |
0 |
1.000 |
| 2 |
13 |
|
J |
46 |
14 |
13806 |
◊ |
F |
x,y,z |
1_555 |
60 |
16 |
13258 |
477.8 |
-12.2 |
0.126 |
1 |
0 |
0 |
0.100 |
14 |
|
C |
55 |
16 |
13786 |
◊ |
G |
x,y-1,z |
1_545 |
50 |
16 |
14008 |
455.0 |
-9.5 |
0.304 |
1 |
0 |
0 |
0.100 |
15 |
|
I |
49 |
14 |
13604 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
13913 |
447.5 |
-10.8 |
0.107 |
0 |
0 |
0 |
0.100 |
16 |
|
L |
51 |
15 |
13617 |
◊ |
D |
x,y-1,z |
1_545 |
48 |
15 |
13986 |
421.3 |
-11.8 |
0.097 |
0 |
0 |
0 |
0.100 |
17 |
|
E |
49 |
14 |
13906 |
◊ |
H |
x-1,y,z |
1_455 |
43 |
13 |
14101 |
404.6 |
-10.8 |
0.117 |
0 |
0 |
0 |
0.100 |
18 |
|
B |
43 |
14 |
14198 |
◊ |
K |
x-1,y,z+1 |
1_456 |
43 |
12 |
14211 |
390.8 |
-10.1 |
0.102 |
0 |
0 |
0 |
0.100 |
| Average: |
432.8 |
-10.9 |
0.142 |
0 |
0 |
0 |
0.100 |
| 3 |
19 |
|
[C8E]A:501 |
20 |
1 |
633 |
f |
A |
x,y,z |
1_555 |
53 |
26 |
13913 |
353.8 |
0.5 |
0.509 |
0 |
0 |
0 |
0.000 |
| 4 |
20 |
|
E |
29 |
7 |
13906 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
12 |
13258 |
275.9 |
0.7 |
0.942 |
4 |
0 |
0 |
0.000 |
21 |
|
I |
28 |
10 |
13604 |
◊ |
H |
x-1,y,z |
1_455 |
34 |
10 |
14101 |
274.6 |
-0.1 |
0.880 |
4 |
0 |
0 |
0.000 |
22 |
|
L |
31 |
11 |
13617 |
◊ |
K |
x-1,y,z |
1_455 |
30 |
8 |
14211 |
272.8 |
0.0 |
0.881 |
6 |
0 |
0 |
0.000 |
23 |
|
B |
34 |
7 |
14198 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
11 |
13786 |
271.1 |
-0.8 |
0.862 |
4 |
0 |
0 |
0.000 |
| Average: |
273.6 |
-0.0 |
0.891 |
5 |
0 |
0 |
0.000 |
| 5 |
24 |
|
[LDA]I:501 |
15 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
13913 |
238.5 |
1.5 |
0.414 |
0 |
0 |
0 |
0.000 |
| 6 |
25 |
|
[C8E]C:502 |
11 |
1 |
402 |
◊ |
G |
x,y-1,z |
1_545 |
33 |
10 |
14008 |
184.0 |
3.6 |
0.220 |
0 |
0 |
0 |
0.000 |
| 7 |
26 |
|
[LDA]I:501 |
14 |
1 |
512 |
f |
I |
x,y,z |
1_555 |
18 |
6 |
13604 |
164.1 |
-1.9 |
0.095 |
0 |
0 |
0 |
0.100 |
| 8 |
27 |
|
B |
18 |
7 |
14198 |
◊ |
G |
x-1,y-1,z |
1_445 |
17 |
7 |
14008 |
163.1 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
17 |
8 |
13913 |
◊ |
H |
x-1,y,z |
1_455 |
19 |
8 |
14101 |
154.6 |
1.9 |
0.950 |
2 |
0 |
0 |
0.000 |
29 |
|
D |
19 |
9 |
13986 |
◊ |
K |
x-1,y+1,z |
1_465 |
17 |
7 |
14211 |
149.2 |
1.5 |
0.926 |
2 |
0 |
0 |
0.000 |
30 |
|
E |
14 |
6 |
13906 |
◊ |
J |
x-1,y,z |
1_455 |
19 |
6 |
13806 |
128.7 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
| Average: |
148.9 |
1.0 |
0.859 |
1 |
0 |
0 |
0.000 |
| 9 |
31 |
|
[LDA]C:503 |
7 |
1 |
311 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
13786 |
160.2 |
1.7 |
0.517 |
0 |
0 |
0 |
0.000 |
| 10 |
32 |
|
[C8E]A:503 |
11 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
17 |
10 |
13913 |
156.9 |
0.9 |
0.315 |
0 |
0 |
0 |
0.000 |
| 11 |
33 |
|
[LDA]B:501 |
8 |
1 |
324 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
14198 |
145.0 |
1.4 |
0.397 |
0 |
0 |
0 |
0.000 |
| 12 |
34 |
|
[LDA]A:504 |
9 |
1 |
508 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
13913 |
132.2 |
1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
| 13 |
35 |
|
[C8E]C:501 |
9 |
1 |
315 |
f |
G |
x,y-1,z |
1_545 |
18 |
6 |
14008 |
122.0 |
-4.7 |
0.530 |
0 |
0 |
0 |
0.100 |
| 14 |
36 |
|
[C8E]C:502 |
9 |
1 |
402 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
13786 |
119.3 |
1.3 |
0.094 |
0 |
0 |
0 |
0.000 |
| 15 |
37 |
|
[C8E]A:503 |
11 |
1 |
408 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
13786 |
114.3 |
-2.2 |
0.137 |
0 |
0 |
0 |
0.047 |
| 16 |
38 |
|
[C8E]C:501 |
8 |
1 |
315 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
13786 |
98.5 |
-2.4 |
0.527 |
0 |
0 |
0 |
0.000 |
| 17 |
39 |
|
[C8E]A:502 |
7 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13913 |
94.0 |
2.1 |
0.522 |
0 |
0 |
0 |
0.000 |
|