| ## |
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 |
116 |
26 |
9800 |
◊ |
H |
x-1,y,z+1 |
1_456 |
115 |
25 |
9745 |
1097.9 |
-17.0 |
0.032 |
9 |
0 |
0 |
0.393 |
2 |
|
B |
116 |
26 |
9706 |
◊ |
A |
x,y,z |
1_555 |
116 |
26 |
9727 |
1093.9 |
-17.0 |
0.056 |
9 |
0 |
0 |
0.393 |
3 |
|
G |
115 |
25 |
9720 |
◊ |
F |
x,y,z |
1_555 |
119 |
26 |
9686 |
1091.2 |
-17.3 |
0.059 |
8 |
0 |
0 |
0.393 |
4 |
|
E |
110 |
24 |
9732 |
◊ |
D |
x-1,y,z |
1_455 |
114 |
26 |
10004 |
1083.6 |
-17.2 |
0.038 |
11 |
0 |
0 |
0.393 |
| Average: |
1091.6 |
-17.1 |
0.046 |
9 |
0 |
0 |
0.393 |
| 2 |
5 |
|
D |
59 |
20 |
10004 |
◊ |
C |
x,y,z |
1_555 |
67 |
22 |
9800 |
627.5 |
3.0 |
0.897 |
7 |
3 |
0 |
0.000 |
6 |
|
F |
53 |
18 |
9686 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
9706 |
485.0 |
0.1 |
0.738 |
7 |
2 |
0 |
0.000 |
| Average: |
556.2 |
1.6 |
0.818 |
7 |
3 |
0 |
0.000 |
| 3 |
7 |
|
G |
51 |
15 |
9720 |
◊ |
E |
x,y-1,z |
1_545 |
53 |
18 |
9732 |
502.9 |
-6.0 |
0.225 |
5 |
0 |
0 |
0.000 |
8 |
|
H |
50 |
18 |
9745 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
9727 |
455.5 |
-6.8 |
0.152 |
3 |
0 |
0 |
0.000 |
| Average: |
479.2 |
-6.4 |
0.188 |
4 |
0 |
0 |
0.000 |
| 4 |
9 |
|
[ITT]C:1001 |
31 |
1 |
608 |
f |
C |
x,y,z |
1_555 |
65 |
23 |
9800 |
449.1 |
0.1 |
0.752 |
17 |
0 |
0 |
0.264 |
10 |
|
[ITT]H:1001 |
30 |
1 |
599 |
f |
H |
x,y,z |
1_555 |
63 |
22 |
9745 |
436.8 |
0.6 |
0.730 |
12 |
0 |
0 |
0.264 |
11 |
|
[ITT]A:1001 |
30 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
65 |
22 |
9727 |
429.6 |
0.6 |
0.744 |
19 |
0 |
0 |
0.264 |
12 |
|
[ITT]B:1001 |
30 |
1 |
596 |
f |
B |
x,y,z |
1_555 |
60 |
22 |
9706 |
429.4 |
-0.6 |
0.733 |
14 |
0 |
0 |
0.264 |
13 |
|
[ITT]F:1001 |
30 |
1 |
595 |
f |
F |
x,y,z |
1_555 |
72 |
24 |
9686 |
425.1 |
-1.4 |
0.719 |
11 |
0 |
0 |
0.264 |
14 |
|
[ITT]G:1001 |
30 |
1 |
597 |
f |
G |
x,y,z |
1_555 |
67 |
24 |
9720 |
423.7 |
-0.7 |
0.700 |
11 |
0 |
0 |
0.264 |
15 |
|
[ITT]E:1001 |
31 |
1 |
596 |
f |
E |
x,y,z |
1_555 |
64 |
22 |
9732 |
423.4 |
-0.7 |
0.708 |
12 |
0 |
0 |
0.264 |
| Average: |
431.0 |
-0.3 |
0.727 |
14 |
0 |
0 |
0.264 |
| 5 |
16 |
|
F |
44 |
13 |
9686 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
10004 |
423.3 |
-6.1 |
0.196 |
1 |
0 |
0 |
0.000 |
17 |
|
C |
45 |
15 |
9800 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
9706 |
400.6 |
-6.7 |
0.136 |
2 |
0 |
0 |
0.000 |
| Average: |
412.0 |
-6.4 |
0.166 |
2 |
0 |
0 |
0.000 |
| 6 |
18 |
|
G |
40 |
13 |
9720 |
◊ |
D |
x,y-1,z |
1_545 |
40 |
13 |
10004 |
347.1 |
-4.9 |
0.219 |
2 |
1 |
0 |
0.000 |
| 7 |
19 |
|
D |
37 |
13 |
10004 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
9706 |
315.0 |
1.6 |
0.832 |
1 |
9 |
0 |
0.000 |
20 |
|
F |
37 |
10 |
9686 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
9800 |
280.9 |
1.5 |
0.836 |
1 |
12 |
0 |
0.000 |
| Average: |
297.9 |
1.5 |
0.834 |
1 |
11 |
0 |
0.000 |
| 8 |
21 |
|
[IMP]D:1001 |
22 |
1 |
469 |
f |
D |
x,y,z |
1_555 |
52 |
18 |
10004 |
313.2 |
-1.2 |
0.707 |
6 |
0 |
0 |
0.069 |
| 9 |
22 |
|
G |
36 |
11 |
9720 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
9 |
9706 |
284.3 |
-0.2 |
0.651 |
3 |
1 |
0 |
0.000 |
| 10 |
23 |
|
F |
22 |
7 |
9686 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
9727 |
239.4 |
-1.3 |
0.385 |
2 |
2 |
0 |
0.000 |
24 |
|
D |
24 |
9 |
10004 |
◊ |
H |
x-1,y,z+1 |
1_456 |
24 |
7 |
9745 |
239.1 |
-0.2 |
0.519 |
4 |
2 |
0 |
0.000 |
25 |
|
G |
22 |
6 |
9720 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
9706 |
223.4 |
-2.1 |
0.352 |
1 |
2 |
0 |
0.000 |
26 |
|
E |
25 |
7 |
9732 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
7 |
9800 |
218.7 |
-1.2 |
0.332 |
4 |
2 |
0 |
0.000 |
| Average: |
230.2 |
-1.2 |
0.397 |
3 |
2 |
0 |
0.000 |
| 11 |
27 |
|
E |
20 |
7 |
9732 |
◊ |
C |
x-1,y+1,z |
1_465 |
26 |
10 |
9800 |
201.1 |
1.6 |
0.831 |
7 |
3 |
0 |
0.000 |
| 12 |
28 |
|
F |
21 |
8 |
9686 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
9732 |
185.8 |
-5.0 |
0.078 |
3 |
0 |
0 |
0.000 |
| 13 |
29 |
|
[POP]D:1000 |
9 |
1 |
258 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
10004 |
163.9 |
0.7 |
0.682 |
6 |
0 |
0 |
0.036 |
| 14 |
30 |
|
E |
17 |
7 |
9732 |
◊ |
B |
x-1,y+1,z |
1_465 |
9 |
4 |
9706 |
86.6 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
| 15 |
31 |
|
E |
11 |
6 |
9732 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
10004 |
83.9 |
0.4 |
0.714 |
3 |
0 |
0 |
0.000 |
| 16 |
32 |
|
G |
12 |
2 |
9720 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
9800 |
70.3 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[MG]G:1002 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
9720 |
51.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.188 |
34 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9800 |
51.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.188 |
35 |
|
[MG]E:1002 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
9732 |
46.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.188 |
36 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10004 |
45.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.188 |
37 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9706 |
44.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.188 |
38 |
|
[MG]F:1002 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
9686 |
44.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.188 |
39 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
9745 |
42.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.188 |
40 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9727 |
41.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
45.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.188 |
| 18 |
41 |
|
[IMP]D:1001 |
7 |
1 |
469 |
f |
[POP]D:1000 |
x,y,z |
1_555 |
7 |
1 |
258 |
48.3 |
-1.4 |
0.479 |
0 |
0 |
0 |
0.024 |
| 19 |
42 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
[ITT]H:1001 |
x,y,z |
1_555 |
3 |
1 |
599 |
36.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.203 |
43 |
|
[MG]G:1002 |
1 |
1 |
98 |
f |
[ITT]G:1001 |
x,y,z |
1_555 |
4 |
1 |
597 |
35.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.203 |
44 |
|
[MG]F:1002 |
1 |
1 |
98 |
f |
[ITT]F:1001 |
x,y,z |
1_555 |
4 |
1 |
595 |
35.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.203 |
45 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ITT]A:1001 |
x,y,z |
1_555 |
3 |
1 |
606 |
35.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.203 |
46 |
|
[MG]E:1002 |
1 |
1 |
98 |
f |
[ITT]E:1001 |
x,y,z |
1_555 |
3 |
1 |
596 |
34.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.203 |
47 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ITT]B:1001 |
x,y,z |
1_555 |
5 |
1 |
596 |
34.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.203 |
48 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
[ITT]C:1001 |
x,y,z |
1_555 |
5 |
1 |
608 |
33.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.203 |
| Average: |
35.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.203 |
| 20 |
49 |
|
[POP]D:1000 |
4 |
1 |
258 |
f |
[MG]D:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.077 |
| 21 |
50 |
|
B |
2 |
1 |
9706 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
2 |
10004 |
12.9 |
0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
| 22 |
51 |
|
[IMP]D:1001 |
3 |
1 |
469 |
f |
[MG]D:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 23 |
52 |
|
F |
1 |
1 |
9686 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9727 |
6.1 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
|