| ## |
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 |
64 |
17 |
13771 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
56 |
17 |
14173 |
590.0 |
-2.4 |
0.356 |
11 |
1 |
0 |
0.000 |
2 |
|
A |
67 |
18 |
13901 |
x |
C |
-y,x-y,z-1/3 |
2_554 |
59 |
17 |
13771 |
579.0 |
-0.8 |
0.520 |
10 |
2 |
0 |
0.000 |
3 |
|
G |
68 |
17 |
13896 |
x |
G |
-y,x-y,z-1/3 |
2_554 |
60 |
18 |
13896 |
567.9 |
-0.4 |
0.556 |
8 |
1 |
0 |
0.000 |
4 |
|
B |
67 |
17 |
14173 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
54 |
19 |
13901 |
563.9 |
-1.2 |
0.467 |
9 |
0 |
0 |
0.000 |
5 |
|
F |
59 |
19 |
13592 |
x |
D |
-y,x-y,z-1/3 |
2_554 |
65 |
17 |
13724 |
555.3 |
-2.0 |
0.463 |
10 |
2 |
0 |
0.000 |
6 |
|
D |
55 |
16 |
13724 |
x |
E |
-y,x-y,z-1/3 |
2_554 |
70 |
18 |
13874 |
554.1 |
-2.6 |
0.430 |
10 |
1 |
0 |
0.000 |
7 |
|
H |
73 |
18 |
13802 |
x |
H |
-y+1,x-y,z-1/3 |
2_654 |
59 |
16 |
13802 |
551.7 |
-2.3 |
0.427 |
7 |
1 |
0 |
0.000 |
8 |
|
E |
53 |
17 |
13874 |
x |
F |
-y,x-y,z-1/3 |
2_554 |
67 |
18 |
13592 |
533.4 |
-2.0 |
0.462 |
9 |
1 |
0 |
0.000 |
| Average: |
561.9 |
-1.7 |
0.460 |
9 |
1 |
0 |
0.000 |
| 2 |
9 |
|
I |
60 |
16 |
13915 |
x |
I |
-y+1,x-y+1,z-1/3 |
2_664 |
66 |
18 |
13915 |
562.6 |
-0.4 |
0.552 |
10 |
3 |
0 |
0.000 |
| 3 |
10 |
|
A |
41 |
11 |
13901 |
◊ |
G |
-y,x-y,z-1/3 |
2_554 |
47 |
14 |
13896 |
374.7 |
-2.6 |
0.317 |
2 |
1 |
0 |
0.000 |
| 4 |
11 |
|
E |
34 |
14 |
13874 |
◊ |
H |
x-1,y-1,z |
1_445 |
35 |
14 |
13802 |
330.1 |
3.8 |
0.866 |
4 |
2 |
0 |
0.000 |
12 |
|
I |
40 |
16 |
13915 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
13901 |
291.9 |
2.9 |
0.790 |
2 |
2 |
0 |
0.000 |
| Average: |
311.0 |
3.3 |
0.828 |
3 |
2 |
0 |
0.000 |
| 5 |
13 |
|
I |
29 |
9 |
13915 |
◊ |
F |
x,y,z |
1_555 |
30 |
13 |
13592 |
319.4 |
0.9 |
0.672 |
1 |
0 |
0 |
0.000 |
14 |
|
G |
31 |
10 |
13896 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
14173 |
294.9 |
1.2 |
0.679 |
2 |
0 |
0 |
0.000 |
15 |
|
H |
27 |
6 |
13802 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
13901 |
275.0 |
1.2 |
0.680 |
4 |
0 |
0 |
0.000 |
| Average: |
296.4 |
1.1 |
0.677 |
2 |
0 |
0 |
0.000 |
| 6 |
16 |
|
B |
35 |
12 |
14173 |
◊ |
H |
-y,x-y,z-1/3 |
2_554 |
30 |
10 |
13802 |
305.8 |
4.4 |
0.889 |
4 |
2 |
0 |
0.000 |
17 |
|
I |
21 |
9 |
13915 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
19 |
7 |
13724 |
171.5 |
2.8 |
0.814 |
3 |
2 |
0 |
0.000 |
| Average: |
238.6 |
3.6 |
0.852 |
4 |
2 |
0 |
0.000 |
| 7 |
18 |
|
C |
24 |
8 |
13771 |
◊ |
H |
-y,x-y-1,z-1/3 |
2_544 |
34 |
10 |
13802 |
234.5 |
-0.2 |
0.495 |
2 |
1 |
0 |
0.000 |
19 |
|
I |
31 |
9 |
13915 |
◊ |
E |
-y,x-y+1,z-1/3 |
2_564 |
25 |
8 |
13874 |
233.2 |
0.6 |
0.630 |
4 |
0 |
0 |
0.000 |
| Average: |
233.8 |
0.2 |
0.562 |
3 |
1 |
0 |
0.000 |
| 8 |
20 |
|
[ZRC]H:400 |
16 |
1 |
440 |
f |
H |
x,y,z |
1_555 |
33 |
15 |
13802 |
229.6 |
-8.7 |
0.850 |
1 |
0 |
0 |
0.100 |
21 |
|
[ZRC]I:400 |
14 |
1 |
444 |
f |
I |
x,y,z |
1_555 |
33 |
14 |
13915 |
219.4 |
-9.5 |
0.790 |
1 |
0 |
0 |
0.100 |
22 |
|
[ZRC]B:400 |
16 |
1 |
439 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
14173 |
218.3 |
-9.7 |
0.822 |
1 |
0 |
0 |
0.100 |
23 |
|
[ZRC]C:400 |
15 |
1 |
441 |
f |
C |
x,y,z |
1_555 |
33 |
15 |
13771 |
216.8 |
-8.0 |
0.824 |
1 |
0 |
0 |
0.100 |
24 |
|
[ZRC]E:400 |
14 |
1 |
439 |
cf |
E |
x,y,z |
1_555 |
31 |
13 |
13874 |
208.6 |
-9.2 |
0.748 |
0 |
0 |
0 |
0.100 |
25 |
|
[ZRC]A:400 |
16 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
13901 |
208.0 |
-9.6 |
0.781 |
2 |
0 |
0 |
0.100 |
26 |
|
[ZRC]F:400 |
15 |
1 |
447 |
cf |
F |
x,y,z |
1_555 |
32 |
15 |
13592 |
205.6 |
-8.6 |
0.801 |
0 |
0 |
0 |
0.100 |
27 |
|
[ZRC]D:400 |
14 |
1 |
437 |
f |
D |
x,y,z |
1_555 |
30 |
13 |
13724 |
195.8 |
-8.8 |
0.734 |
0 |
0 |
0 |
0.100 |
| Average: |
212.8 |
-9.0 |
0.794 |
1 |
0 |
0 |
0.100 |
| 9 |
28 |
|
C |
26 |
8 |
13771 |
◊ |
G |
-y,x-y,z-1/3 |
2_554 |
24 |
10 |
13896 |
227.4 |
3.7 |
0.860 |
5 |
1 |
0 |
0.000 |
| 10 |
29 |
|
D |
27 |
7 |
13724 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
13771 |
218.7 |
2.5 |
0.817 |
3 |
1 |
0 |
0.000 |
30 |
|
B |
21 |
6 |
14173 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
7 |
13724 |
160.0 |
0.8 |
0.602 |
1 |
0 |
0 |
0.000 |
| Average: |
189.3 |
1.6 |
0.709 |
2 |
1 |
0 |
0.000 |
| 11 |
31 |
|
A |
28 |
12 |
13901 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
32 |
14 |
13724 |
218.3 |
1.6 |
0.740 |
2 |
0 |
0 |
0.000 |
32 |
|
C |
25 |
10 |
13771 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
26 |
10 |
13592 |
204.3 |
2.6 |
0.807 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
26 |
11 |
14173 |
◊ |
E |
-y-1,x-y,z-1/3 |
2_454 |
32 |
11 |
13874 |
196.5 |
1.5 |
0.717 |
1 |
0 |
0 |
0.000 |
| Average: |
206.3 |
1.9 |
0.755 |
1 |
0 |
0 |
0.000 |
| 12 |
34 |
|
[ZRC]G:400 |
15 |
1 |
440 |
f |
G |
x,y,z |
1_555 |
31 |
13 |
13896 |
213.6 |
-10.0 |
0.706 |
0 |
0 |
0 |
0.100 |
| 13 |
35 |
|
F |
25 |
8 |
13592 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
14173 |
196.7 |
2.6 |
0.761 |
4 |
1 |
0 |
0.000 |
| 14 |
36 |
|
A |
19 |
4 |
13901 |
◊ |
I |
-y+1,x-y+1,z-1/3 |
2_664 |
22 |
6 |
13915 |
162.6 |
0.8 |
0.675 |
2 |
1 |
0 |
0.000 |
37 |
|
H |
18 |
8 |
13802 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
16 |
4 |
13874 |
136.1 |
0.9 |
0.708 |
1 |
0 |
0 |
0.000 |
| Average: |
149.4 |
0.8 |
0.691 |
2 |
1 |
0 |
0.000 |
| 15 |
38 |
|
G |
18 |
6 |
13896 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
13592 |
148.5 |
2.6 |
0.845 |
1 |
0 |
0 |
0.000 |
| 16 |
39 |
|
B |
16 |
8 |
14173 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
15 |
4 |
13724 |
146.1 |
2.3 |
0.818 |
1 |
1 |
0 |
0.000 |
40 |
|
C |
19 |
7 |
13771 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
16 |
6 |
13874 |
118.1 |
1.3 |
0.707 |
1 |
0 |
0 |
0.000 |
41 |
|
C |
12 |
5 |
13771 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
11 |
5 |
13724 |
88.0 |
0.5 |
0.667 |
0 |
0 |
0 |
0.000 |
| Average: |
117.4 |
1.3 |
0.731 |
1 |
0 |
0 |
0.000 |
| 17 |
42 |
|
E |
20 |
6 |
13874 |
◊ |
A |
x-1,y-1,z |
1_445 |
19 |
6 |
13901 |
143.3 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
43 |
|
F |
19 |
6 |
13592 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
13901 |
140.4 |
-0.1 |
0.583 |
1 |
0 |
0 |
0.000 |
44 |
|
E |
17 |
5 |
13874 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
13771 |
135.2 |
0.1 |
0.577 |
1 |
0 |
0 |
0.000 |
| Average: |
139.6 |
0.0 |
0.585 |
1 |
0 |
0 |
0.000 |
| 18 |
45 |
|
B |
17 |
5 |
14173 |
◊ |
I |
x-1,y-1,z |
1_445 |
10 |
2 |
13915 |
117.5 |
0.1 |
0.586 |
1 |
1 |
0 |
0.000 |
46 |
|
F |
12 |
4 |
13592 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
13802 |
98.9 |
0.2 |
0.592 |
1 |
1 |
0 |
0.000 |
47 |
|
G |
5 |
2 |
13896 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
13724 |
49.4 |
-0.8 |
0.303 |
0 |
1 |
0 |
0.000 |
| Average: |
88.6 |
-0.2 |
0.494 |
1 |
1 |
0 |
0.000 |
| 19 |
48 |
|
A |
10 |
4 |
13901 |
◊ |
E |
-y,x-y,z-1/3 |
2_554 |
10 |
5 |
13874 |
98.2 |
2.2 |
0.871 |
1 |
2 |
0 |
0.000 |
49 |
|
B |
10 |
3 |
14173 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
11 |
5 |
13592 |
84.8 |
0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
4 |
1 |
13901 |
◊ |
F |
-y+1,x-y+1,z-1/3 |
2_664 |
6 |
2 |
13592 |
43.9 |
0.9 |
0.826 |
2 |
4 |
0 |
0.000 |
| Average: |
75.6 |
1.1 |
0.748 |
1 |
2 |
0 |
0.000 |
| 20 |
51 |
|
G |
11 |
5 |
13896 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
8 |
3 |
13592 |
79.7 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 21 |
52 |
|
H |
6 |
2 |
13802 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
13724 |
56.8 |
0.9 |
0.668 |
1 |
3 |
0 |
0.000 |
53 |
|
C |
6 |
3 |
13771 |
◊ |
I |
x,y-1,z |
1_545 |
7 |
2 |
13915 |
54.2 |
0.7 |
0.741 |
1 |
2 |
0 |
0.000 |
| Average: |
55.5 |
0.8 |
0.705 |
1 |
3 |
0 |
0.000 |
| 22 |
54 |
|
F |
10 |
5 |
13592 |
◊ |
C |
-y,x-y,z+2/3 |
2_555 |
6 |
5 |
13771 |
53.9 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
3 |
1 |
13724 |
◊ |
A |
-y+1,x-y,z+2/3 |
2_655 |
10 |
4 |
13901 |
45.9 |
1.1 |
0.751 |
0 |
0 |
0 |
0.000 |
56 |
|
E |
6 |
5 |
13874 |
◊ |
B |
-y,x-y,z+2/3 |
2_555 |
6 |
3 |
14173 |
32.1 |
0.4 |
0.696 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
0.7 |
0.693 |
0 |
0 |
0 |
0.000 |
| 23 |
57 |
|
B |
2 |
2 |
14173 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
13802 |
25.6 |
1.6 |
0.947 |
0 |
0 |
0 |
0.000 |
| 24 |
58 |
|
B |
5 |
2 |
14173 |
◊ |
I |
-y,x-y,z-1/3 |
2_554 |
2 |
2 |
13915 |
21.2 |
1.0 |
0.839 |
0 |
0 |
0 |
0.000 |
59 |
|
H |
2 |
2 |
13802 |
◊ |
F |
-y+1,x-y+1,z-1/3 |
2_664 |
2 |
1 |
13592 |
16.2 |
0.4 |
0.579 |
0 |
0 |
0 |
0.000 |
60 |
|
G |
2 |
1 |
13896 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
13724 |
6.5 |
0.4 |
0.862 |
0 |
0 |
0 |
0.000 |
| Average: |
14.6 |
0.6 |
0.760 |
0 |
0 |
0 |
0.000 |
| 25 |
61 |
|
G |
3 |
1 |
13896 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13771 |
19.6 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
|