## |
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 |
354 |
93 |
22920 |
◊ |
A |
x,y,z |
1_555 |
354 |
95 |
22790 |
3374.9 |
-37.8 |
0.004 |
49 |
6 |
0 |
0.547 |
2 |
|
F |
349 |
94 |
22834 |
◊ |
E |
x,y,z |
1_555 |
352 |
94 |
22791 |
3374.4 |
-37.9 |
0.004 |
48 |
6 |
0 |
0.547 |
3 |
|
H |
352 |
93 |
22672 |
◊ |
G |
x,y,z |
1_555 |
357 |
93 |
22832 |
3358.0 |
-38.5 |
0.005 |
47 |
7 |
0 |
0.547 |
4 |
|
D |
353 |
94 |
22804 |
◊ |
C |
x,y,z |
1_555 |
355 |
93 |
22751 |
3346.6 |
-37.5 |
0.008 |
46 |
7 |
0 |
0.547 |
Average: |
3363.5 |
-37.9 |
0.005 |
48 |
7 |
0 |
0.547 |
2 |
5 |
|
G |
177 |
46 |
22832 |
◊ |
E |
x,y,z |
1_555 |
182 |
45 |
22791 |
1569.0 |
-3.7 |
0.573 |
26 |
13 |
0 |
0.120 |
6 |
|
D |
171 |
42 |
22804 |
◊ |
B |
x,y,z |
1_555 |
180 |
45 |
22920 |
1545.0 |
-2.1 |
0.659 |
25 |
14 |
0 |
0.120 |
7 |
|
C |
176 |
45 |
22751 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
22790 |
1533.4 |
-3.2 |
0.606 |
26 |
12 |
0 |
0.120 |
8 |
|
H |
177 |
42 |
22672 |
◊ |
F |
x,y,z |
1_555 |
171 |
43 |
22834 |
1530.9 |
-2.1 |
0.679 |
23 |
17 |
0 |
0.120 |
Average: |
1544.5 |
-2.8 |
0.629 |
25 |
14 |
0 |
0.120 |
3 |
9 |
|
B |
53 |
16 |
22920 |
◊ |
C |
x,y-1,z |
1_545 |
57 |
22 |
22751 |
508.7 |
4.5 |
0.901 |
9 |
8 |
0 |
0.000 |
10 |
|
F |
50 |
15 |
22834 |
◊ |
G |
x-1,y,z |
1_455 |
53 |
20 |
22832 |
506.4 |
5.3 |
0.936 |
9 |
7 |
0 |
0.000 |
Average: |
507.5 |
4.9 |
0.919 |
9 |
8 |
0 |
0.000 |
4 |
11 |
|
D |
47 |
18 |
22804 |
◊ |
H |
x,y-1,z+1 |
1_546 |
52 |
16 |
22672 |
463.3 |
-0.1 |
0.634 |
3 |
5 |
0 |
0.000 |
5 |
12 |
|
F |
50 |
16 |
22834 |
◊ |
E |
x-1,y,z |
1_455 |
47 |
12 |
22791 |
450.2 |
1.3 |
0.746 |
3 |
2 |
0 |
0.000 |
13 |
|
B |
46 |
15 |
22920 |
◊ |
A |
x,y-1,z |
1_545 |
48 |
12 |
22790 |
429.2 |
0.6 |
0.669 |
3 |
2 |
0 |
0.000 |
Average: |
439.7 |
1.0 |
0.707 |
3 |
2 |
0 |
0.000 |
6 |
14 |
|
[TD6]D:601 |
31 |
1 |
703 |
f |
D |
x,y,z |
1_555 |
50 |
23 |
22804 |
366.7 |
-8.7 |
0.322 |
17 |
0 |
0 |
0.306 |
15 |
|
[TD6]C:601 |
31 |
1 |
701 |
f |
C |
x,y,z |
1_555 |
52 |
23 |
22751 |
366.2 |
-8.7 |
0.326 |
17 |
0 |
0 |
0.306 |
16 |
|
[TD6]G:601 |
32 |
1 |
701 |
f |
G |
x,y,z |
1_555 |
50 |
24 |
22832 |
365.3 |
-8.6 |
0.320 |
19 |
0 |
0 |
0.306 |
17 |
|
[TD6]E:601 |
31 |
1 |
701 |
f |
E |
x,y,z |
1_555 |
51 |
24 |
22791 |
365.1 |
-8.7 |
0.305 |
18 |
0 |
0 |
0.306 |
18 |
|
[TD6]F:601 |
31 |
1 |
699 |
f |
F |
x,y,z |
1_555 |
50 |
23 |
22834 |
364.3 |
-8.8 |
0.309 |
17 |
0 |
0 |
0.306 |
19 |
|
[TD6]A:601 |
31 |
1 |
699 |
f |
A |
x,y,z |
1_555 |
52 |
24 |
22790 |
363.7 |
-8.6 |
0.314 |
18 |
0 |
0 |
0.306 |
20 |
|
[TD6]H:601 |
31 |
1 |
687 |
f |
H |
x,y,z |
1_555 |
51 |
24 |
22672 |
362.9 |
-8.6 |
0.316 |
19 |
0 |
0 |
0.306 |
21 |
|
[TD6]B:601 |
31 |
1 |
697 |
f |
B |
x,y,z |
1_555 |
52 |
24 |
22920 |
362.8 |
-8.7 |
0.314 |
19 |
0 |
0 |
0.306 |
Average: |
364.6 |
-8.7 |
0.316 |
18 |
0 |
0 |
0.306 |
7 |
22 |
|
H |
47 |
12 |
22672 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
22791 |
363.2 |
-5.1 |
0.175 |
3 |
0 |
0 |
0.049 |
23 |
|
D |
45 |
12 |
22804 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
22790 |
361.3 |
-5.1 |
0.179 |
3 |
0 |
0 |
0.049 |
24 |
|
G |
45 |
12 |
22832 |
◊ |
F |
x,y,z |
1_555 |
47 |
12 |
22834 |
361.3 |
-5.0 |
0.186 |
4 |
0 |
0 |
0.049 |
25 |
|
C |
44 |
12 |
22751 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
22920 |
359.7 |
-4.9 |
0.186 |
4 |
0 |
0 |
0.049 |
Average: |
361.4 |
-5.0 |
0.182 |
4 |
0 |
0 |
0.049 |
8 |
26 |
|
E |
34 |
8 |
22791 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
22751 |
327.3 |
-2.5 |
0.349 |
3 |
3 |
0 |
0.000 |
27 |
|
G |
34 |
9 |
22832 |
◊ |
A |
x,y,z |
1_555 |
31 |
6 |
22790 |
297.9 |
-3.3 |
0.230 |
1 |
3 |
0 |
0.000 |
Average: |
312.6 |
-2.9 |
0.290 |
2 |
3 |
0 |
0.000 |
9 |
28 |
|
F |
43 |
14 |
22834 |
◊ |
G |
x-1,y+1,z |
1_465 |
33 |
9 |
22832 |
325.9 |
-0.6 |
0.582 |
4 |
1 |
0 |
0.000 |
29 |
|
C |
32 |
8 |
22751 |
◊ |
B |
x-1,y+1,z |
1_465 |
37 |
13 |
22920 |
315.1 |
-0.3 |
0.600 |
2 |
1 |
0 |
0.000 |
Average: |
320.5 |
-0.5 |
0.591 |
3 |
1 |
0 |
0.000 |
10 |
30 |
|
H |
26 |
10 |
22672 |
◊ |
D |
x-1,y+1,z-1 |
1_464 |
31 |
9 |
22804 |
265.0 |
-2.0 |
0.355 |
0 |
3 |
0 |
0.000 |
11 |
31 |
|
[TD6]E:601 |
19 |
1 |
701 |
◊ |
F |
x,y,z |
1_555 |
26 |
11 |
22834 |
183.6 |
2.1 |
0.852 |
1 |
0 |
0 |
0.000 |
32 |
|
[TD6]D:601 |
19 |
1 |
703 |
◊ |
C |
x,y,z |
1_555 |
26 |
12 |
22751 |
182.8 |
2.1 |
0.855 |
1 |
0 |
0 |
0.000 |
33 |
|
[TD6]B:601 |
19 |
1 |
697 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
22790 |
182.5 |
2.0 |
0.844 |
1 |
0 |
0 |
0.000 |
34 |
|
[TD6]C:601 |
18 |
1 |
701 |
◊ |
D |
x,y,z |
1_555 |
26 |
11 |
22804 |
182.4 |
2.0 |
0.858 |
1 |
0 |
0 |
0.000 |
35 |
|
[TD6]F:601 |
19 |
1 |
699 |
◊ |
E |
x,y,z |
1_555 |
27 |
12 |
22791 |
181.9 |
2.0 |
0.847 |
1 |
0 |
0 |
0.000 |
36 |
|
[TD6]A:601 |
19 |
1 |
699 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
22920 |
181.8 |
2.0 |
0.842 |
1 |
0 |
0 |
0.000 |
37 |
|
[TD6]G:601 |
18 |
1 |
701 |
◊ |
H |
x,y,z |
1_555 |
25 |
11 |
22672 |
181.7 |
2.0 |
0.852 |
1 |
0 |
0 |
0.000 |
38 |
|
[TD6]H:601 |
19 |
1 |
687 |
◊ |
G |
x,y,z |
1_555 |
28 |
12 |
22832 |
177.7 |
2.0 |
0.849 |
1 |
0 |
0 |
0.000 |
Average: |
181.8 |
2.0 |
0.850 |
1 |
0 |
0 |
0.000 |
12 |
39 |
|
E |
15 |
8 |
22791 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
22790 |
135.9 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
13 |
40 |
|
[GOL]H:603 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
22672 |
132.8 |
1.1 |
0.731 |
7 |
0 |
0 |
0.047 |
41 |
|
[GOL]C:603 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
22751 |
132.2 |
1.0 |
0.723 |
8 |
0 |
0 |
0.047 |
42 |
|
[GOL]F:603 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
22834 |
131.8 |
1.0 |
0.723 |
7 |
0 |
0 |
0.047 |
43 |
|
[GOL]D:603 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
22804 |
131.5 |
1.0 |
0.730 |
8 |
0 |
0 |
0.047 |
44 |
|
[GOL]A:603 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
22790 |
131.3 |
0.9 |
0.716 |
6 |
0 |
0 |
0.047 |
45 |
|
[GOL]E:603 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
22791 |
131.1 |
1.0 |
0.717 |
7 |
0 |
0 |
0.047 |
46 |
|
[GOL]B:603 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
22920 |
130.2 |
1.0 |
0.721 |
7 |
0 |
0 |
0.047 |
Average: |
131.6 |
1.0 |
0.723 |
7 |
0 |
0 |
0.047 |
14 |
47 |
|
[GOL]G:603 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
18 |
7 |
22832 |
129.8 |
1.0 |
0.720 |
8 |
0 |
0 |
0.022 |
15 |
48 |
|
[GOL]C:604 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
22751 |
119.3 |
-0.2 |
0.543 |
1 |
0 |
0 |
0.006 |
16 |
49 |
|
[GOL]A:604 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
22790 |
117.4 |
-0.1 |
0.506 |
1 |
0 |
0 |
0.005 |
17 |
50 |
|
[GOL]D:604 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
22804 |
117.3 |
-0.2 |
0.477 |
1 |
0 |
0 |
0.006 |
18 |
51 |
|
[GOL]E:604 |
6 |
1 |
215 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
22791 |
115.7 |
0.1 |
0.589 |
2 |
0 |
0 |
0.007 |
19 |
52 |
|
[GOL]H:604 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
22672 |
115.3 |
-0.2 |
0.494 |
1 |
0 |
0 |
0.006 |
20 |
53 |
|
[GOL]G:604 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
22832 |
114.5 |
-0.7 |
0.452 |
3 |
0 |
0 |
0.017 |
21 |
54 |
|
B |
11 |
2 |
22920 |
◊ |
H |
x,y-1,z+1 |
1_546 |
10 |
4 |
22672 |
105.6 |
1.3 |
0.781 |
2 |
1 |
0 |
0.000 |
22 |
55 |
|
F |
13 |
8 |
22834 |
◊ |
[MN]G:605 |
x-1,y+1,z |
1_465 |
1 |
1 |
123 |
57.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
56 |
|
[MN]H:602 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
12 |
8 |
22672 |
49.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
57 |
|
[MN]C:602 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
22751 |
49.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
58 |
|
[MN]D:602 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
22804 |
49.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
59 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
22790 |
49.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
60 |
|
[MN]F:602 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
22834 |
49.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
61 |
|
[MN]B:602 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
22920 |
49.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
62 |
|
[MN]E:602 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
22791 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
63 |
|
[MN]G:602 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
22832 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
49.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
64 |
|
H |
4 |
2 |
22672 |
◊ |
G |
x-1,y+1,z |
1_465 |
4 |
1 |
22832 |
47.6 |
-0.0 |
0.593 |
1 |
1 |
0 |
0.000 |
65 |
|
C |
4 |
1 |
22751 |
◊ |
D |
x-1,y+1,z |
1_465 |
4 |
2 |
22804 |
44.6 |
-0.0 |
0.588 |
1 |
1 |
0 |
0.000 |
Average: |
46.1 |
-0.0 |
0.590 |
1 |
1 |
0 |
0.000 |
25 |
66 |
|
B |
3 |
1 |
22920 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
22791 |
40.5 |
1.1 |
0.908 |
2 |
0 |
0 |
0.000 |
67 |
|
F |
5 |
2 |
22834 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
22790 |
17.5 |
0.4 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
29.0 |
0.7 |
0.828 |
1 |
0 |
0 |
0.000 |
26 |
68 |
|
[MN]G:605 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
22832 |
40.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
69 |
|
[MN]D:602 |
1 |
1 |
123 |
f |
[TD6]D:601 |
x,y,z |
1_555 |
5 |
1 |
703 |
38.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
70 |
|
[MN]B:602 |
1 |
1 |
123 |
f |
[TD6]B:601 |
x,y,z |
1_555 |
5 |
1 |
697 |
38.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
71 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
[TD6]A:601 |
x,y,z |
1_555 |
4 |
1 |
699 |
38.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.070 |
72 |
|
[MN]F:602 |
1 |
1 |
123 |
f |
[TD6]F:601 |
x,y,z |
1_555 |
4 |
1 |
699 |
38.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
73 |
|
[MN]G:602 |
1 |
1 |
123 |
f |
[TD6]G:601 |
x,y,z |
1_555 |
6 |
1 |
701 |
38.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.070 |
74 |
|
[MN]C:602 |
1 |
1 |
123 |
f |
[TD6]C:601 |
x,y,z |
1_555 |
5 |
1 |
701 |
38.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
75 |
|
[MN]E:602 |
1 |
1 |
123 |
f |
[TD6]E:601 |
x,y,z |
1_555 |
5 |
1 |
701 |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
76 |
|
[MN]H:602 |
1 |
1 |
123 |
f |
[TD6]H:601 |
x,y,z |
1_555 |
5 |
1 |
687 |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
38.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
28 |
77 |
|
G |
7 |
3 |
22832 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
3 |
22804 |
31.8 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
29 |
78 |
|
C |
5 |
2 |
22751 |
◊ |
A |
x-1,y+1,z |
1_465 |
3 |
2 |
22790 |
16.7 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
79 |
|
E |
3 |
2 |
22791 |
◊ |
G |
x-1,y+1,z |
1_465 |
4 |
2 |
22832 |
12.0 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
30 |
80 |
|
H |
3 |
2 |
22672 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
22751 |
16.2 |
-0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
31 |
81 |
|
[GOL]C:603 |
3 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
22804 |
15.0 |
0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
82 |
|
[GOL]G:603 |
3 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
22672 |
14.4 |
0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
83 |
|
[GOL]D:603 |
3 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
22751 |
13.7 |
0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
84 |
|
[GOL]F:603 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
22791 |
13.3 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
85 |
|
[GOL]A:603 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
22920 |
13.3 |
0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
86 |
|
[GOL]E:603 |
3 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
22834 |
12.4 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
87 |
|
[GOL]H:603 |
3 |
1 |
218 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
22832 |
12.2 |
0.4 |
0.651 |
0 |
0 |
0 |
0.000 |
88 |
|
[GOL]B:603 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22790 |
11.0 |
0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
0.4 |
0.648 |
0 |
0 |
0 |
0.000 |
|