## |
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 |
352 |
94 |
22825 |
◊ |
A |
x,y,z |
1_555 |
350 |
95 |
22771 |
3367.7 |
-37.5 |
0.007 |
45 |
6 |
0 |
0.584 |
2 |
|
F |
355 |
94 |
22723 |
◊ |
E |
x,y,z |
1_555 |
354 |
96 |
22883 |
3351.6 |
-36.5 |
0.010 |
49 |
7 |
0 |
0.584 |
3 |
|
D |
354 |
94 |
22790 |
◊ |
C |
x,y,z |
1_555 |
355 |
96 |
22818 |
3339.2 |
-37.3 |
0.011 |
49 |
6 |
0 |
0.584 |
4 |
|
H |
351 |
94 |
22946 |
◊ |
G |
x,y,z |
1_555 |
349 |
94 |
22743 |
3333.1 |
-38.1 |
0.008 |
47 |
6 |
0 |
0.584 |
Average: |
3347.9 |
-37.3 |
0.009 |
48 |
6 |
0 |
0.584 |
2 |
5 |
|
D |
174 |
44 |
22790 |
◊ |
B |
x,y,z |
1_555 |
173 |
43 |
22825 |
1505.3 |
-2.5 |
0.682 |
28 |
15 |
0 |
0.128 |
6 |
|
C |
175 |
42 |
22818 |
◊ |
A |
x,y,z |
1_555 |
169 |
44 |
22771 |
1487.1 |
-2.7 |
0.675 |
23 |
13 |
0 |
0.128 |
7 |
|
G |
172 |
42 |
22743 |
◊ |
F |
x,y,z |
1_555 |
166 |
39 |
22723 |
1471.3 |
-2.1 |
0.692 |
25 |
13 |
0 |
0.128 |
8 |
|
H |
169 |
44 |
22946 |
◊ |
E |
x,y,z |
1_555 |
170 |
43 |
22883 |
1440.0 |
-3.8 |
0.611 |
22 |
10 |
0 |
0.128 |
Average: |
1475.9 |
-2.8 |
0.665 |
25 |
13 |
0 |
0.128 |
3 |
9 |
|
F |
47 |
15 |
22723 |
◊ |
H |
x,y-1,z |
1_545 |
56 |
22 |
22946 |
491.2 |
5.9 |
0.940 |
12 |
5 |
0 |
0.000 |
10 |
|
B |
52 |
15 |
22825 |
◊ |
C |
x-1,y,z |
1_455 |
54 |
23 |
22818 |
487.9 |
4.8 |
0.927 |
7 |
7 |
0 |
0.000 |
Average: |
489.5 |
5.3 |
0.934 |
10 |
6 |
0 |
0.000 |
4 |
11 |
|
F |
50 |
18 |
22723 |
◊ |
E |
x,y-1,z |
1_545 |
49 |
12 |
22883 |
476.2 |
2.9 |
0.827 |
6 |
5 |
0 |
0.000 |
12 |
|
B |
45 |
15 |
22825 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
12 |
22771 |
452.0 |
1.7 |
0.778 |
4 |
5 |
0 |
0.000 |
Average: |
464.1 |
2.3 |
0.803 |
5 |
5 |
0 |
0.000 |
5 |
13 |
|
[TD6]B:601 |
31 |
1 |
710 |
f |
B |
x,y,z |
1_555 |
52 |
24 |
22825 |
377.7 |
-9.1 |
0.295 |
16 |
0 |
0 |
0.321 |
14 |
|
[TD6]A:601 |
30 |
1 |
714 |
f |
A |
x,y,z |
1_555 |
51 |
24 |
22771 |
374.5 |
-8.9 |
0.319 |
18 |
0 |
0 |
0.321 |
15 |
|
[TD6]D:601 |
31 |
1 |
709 |
f |
D |
x,y,z |
1_555 |
54 |
25 |
22790 |
374.0 |
-8.9 |
0.333 |
15 |
0 |
0 |
0.321 |
16 |
|
[TD6]E:601 |
30 |
1 |
714 |
f |
E |
x,y,z |
1_555 |
53 |
24 |
22883 |
373.7 |
-8.9 |
0.325 |
18 |
0 |
0 |
0.321 |
17 |
|
[TD6]H:601 |
30 |
1 |
712 |
f |
H |
x,y,z |
1_555 |
52 |
24 |
22946 |
373.5 |
-8.8 |
0.325 |
17 |
0 |
0 |
0.321 |
18 |
|
[TD6]C:601 |
31 |
1 |
708 |
f |
C |
x,y,z |
1_555 |
52 |
24 |
22818 |
372.9 |
-8.8 |
0.315 |
16 |
0 |
0 |
0.321 |
19 |
|
[TD6]F:601 |
30 |
1 |
710 |
f |
F |
x,y,z |
1_555 |
51 |
24 |
22723 |
371.9 |
-8.8 |
0.318 |
16 |
0 |
0 |
0.321 |
20 |
|
[TD6]G:601 |
30 |
1 |
711 |
f |
G |
x,y,z |
1_555 |
51 |
24 |
22743 |
371.5 |
-8.9 |
0.307 |
18 |
0 |
0 |
0.321 |
Average: |
373.7 |
-8.9 |
0.317 |
17 |
0 |
0 |
0.321 |
6 |
21 |
|
G |
40 |
16 |
22743 |
◊ |
D |
x,y-1,z+1 |
1_546 |
49 |
13 |
22790 |
368.5 |
-1.1 |
0.479 |
3 |
3 |
0 |
0.000 |
7 |
22 |
|
H |
47 |
13 |
22946 |
◊ |
F |
x,y,z |
1_555 |
45 |
13 |
22723 |
361.5 |
-4.8 |
0.211 |
3 |
0 |
0 |
0.051 |
23 |
|
D |
46 |
12 |
22790 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
22771 |
361.2 |
-5.0 |
0.205 |
3 |
0 |
0 |
0.051 |
24 |
|
C |
48 |
13 |
22818 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
22825 |
360.1 |
-5.0 |
0.202 |
1 |
0 |
0 |
0.051 |
25 |
|
G |
43 |
12 |
22743 |
◊ |
E |
x,y,z |
1_555 |
43 |
12 |
22883 |
359.0 |
-5.0 |
0.183 |
4 |
0 |
0 |
0.051 |
Average: |
360.5 |
-5.0 |
0.200 |
3 |
0 |
0 |
0.051 |
8 |
26 |
|
E |
30 |
7 |
22883 |
◊ |
C |
x,y,z |
1_555 |
33 |
9 |
22818 |
295.0 |
-2.5 |
0.327 |
2 |
1 |
0 |
0.000 |
27 |
|
H |
32 |
10 |
22946 |
◊ |
A |
x,y,z |
1_555 |
27 |
6 |
22771 |
266.5 |
-2.5 |
0.331 |
1 |
1 |
0 |
0.000 |
Average: |
280.8 |
-2.5 |
0.329 |
2 |
1 |
0 |
0.000 |
9 |
28 |
|
[TD6]H:601 |
19 |
1 |
712 |
◊ |
G |
x,y,z |
1_555 |
28 |
12 |
22743 |
189.6 |
1.9 |
0.853 |
1 |
0 |
0 |
0.000 |
29 |
|
[TD6]A:601 |
19 |
1 |
714 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
22825 |
188.9 |
2.0 |
0.851 |
1 |
0 |
0 |
0.000 |
30 |
|
[TD6]E:601 |
18 |
1 |
714 |
◊ |
F |
x,y,z |
1_555 |
27 |
12 |
22723 |
188.4 |
1.9 |
0.850 |
1 |
0 |
0 |
0.000 |
31 |
|
[TD6]F:601 |
18 |
1 |
710 |
◊ |
E |
x,y,z |
1_555 |
27 |
12 |
22883 |
187.9 |
1.8 |
0.854 |
1 |
0 |
0 |
0.000 |
32 |
|
[TD6]B:601 |
18 |
1 |
710 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
22771 |
187.2 |
1.8 |
0.847 |
1 |
0 |
0 |
0.000 |
33 |
|
[TD6]G:601 |
18 |
1 |
711 |
◊ |
H |
x,y,z |
1_555 |
29 |
12 |
22946 |
186.6 |
2.0 |
0.859 |
0 |
0 |
0 |
0.000 |
34 |
|
[TD6]D:601 |
19 |
1 |
709 |
◊ |
C |
x,y,z |
1_555 |
27 |
12 |
22818 |
185.4 |
1.7 |
0.841 |
1 |
0 |
0 |
0.000 |
35 |
|
[TD6]C:601 |
19 |
1 |
708 |
◊ |
D |
x,y,z |
1_555 |
27 |
12 |
22790 |
185.1 |
2.0 |
0.859 |
1 |
0 |
0 |
0.000 |
Average: |
187.4 |
1.9 |
0.852 |
1 |
0 |
0 |
0.000 |
10 |
36 |
|
H |
19 |
6 |
22946 |
◊ |
F |
x-1,y+1,z |
1_465 |
25 |
8 |
22723 |
179.1 |
1.6 |
0.815 |
3 |
1 |
0 |
0.000 |
37 |
|
B |
18 |
7 |
22825 |
◊ |
C |
x-1,y+1,z |
1_465 |
18 |
7 |
22818 |
133.0 |
1.6 |
0.802 |
3 |
2 |
0 |
0.000 |
Average: |
156.0 |
1.6 |
0.808 |
3 |
2 |
0 |
0.000 |
11 |
38 |
|
E |
19 |
9 |
22883 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
22771 |
133.3 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
12 |
39 |
|
[GOL]A:603 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
22771 |
132.9 |
1.1 |
0.761 |
3 |
0 |
0 |
0.010 |
40 |
|
[GOL]G:603 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
18 |
7 |
22743 |
132.2 |
1.1 |
0.700 |
2 |
0 |
0 |
0.010 |
41 |
|
[GOL]B:603 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
22825 |
131.7 |
1.1 |
0.728 |
2 |
0 |
0 |
0.010 |
42 |
|
[GOL]H:603 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
22946 |
131.3 |
1.1 |
0.734 |
2 |
0 |
0 |
0.010 |
43 |
|
[GOL]F:603 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
22723 |
130.9 |
1.1 |
0.760 |
3 |
0 |
0 |
0.010 |
44 |
|
[GOL]E:603 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
22883 |
130.6 |
0.1 |
0.621 |
2 |
0 |
0 |
0.010 |
45 |
|
[GOL]C:603 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
22818 |
129.9 |
1.1 |
0.762 |
2 |
0 |
0 |
0.010 |
Average: |
131.4 |
0.9 |
0.724 |
2 |
0 |
0 |
0.010 |
13 |
46 |
|
[GOL]D:603 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
22790 |
131.6 |
1.2 |
0.742 |
2 |
0 |
0 |
0.000 |
14 |
47 |
|
D |
13 |
6 |
22790 |
◊ |
G |
x-1,y+1,z-1 |
1_464 |
15 |
4 |
22743 |
130.4 |
-0.8 |
0.473 |
0 |
0 |
0 |
0.000 |
15 |
48 |
|
[MN]G:602 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
12 |
8 |
22743 |
49.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
49 |
|
[MN]B:602 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
22825 |
49.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
50 |
|
[MN]E:602 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
11 |
8 |
22883 |
49.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
51 |
|
[MN]H:602 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
22946 |
49.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
52 |
|
[MN]D:602 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
22790 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
53 |
|
[MN]C:602 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
22818 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
54 |
|
[MN]F:602 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
22723 |
49.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
55 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
22771 |
48.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
49.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.080 |
16 |
56 |
|
[MN]A:602 |
1 |
1 |
123 |
f |
[TD6]A:601 |
x,y,z |
1_555 |
6 |
1 |
714 |
39.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
57 |
|
[MN]G:602 |
1 |
1 |
123 |
f |
[TD6]G:601 |
x,y,z |
1_555 |
5 |
1 |
711 |
38.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
58 |
|
[MN]H:602 |
1 |
1 |
123 |
f |
[TD6]H:601 |
x,y,z |
1_555 |
5 |
1 |
712 |
38.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
59 |
|
[MN]C:602 |
1 |
1 |
123 |
f |
[TD6]C:601 |
x,y,z |
1_555 |
6 |
1 |
708 |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
60 |
|
[MN]F:602 |
1 |
1 |
123 |
f |
[TD6]F:601 |
x,y,z |
1_555 |
6 |
1 |
710 |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
61 |
|
[MN]E:602 |
1 |
1 |
123 |
f |
[TD6]E:601 |
x,y,z |
1_555 |
5 |
1 |
714 |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
62 |
|
[MN]B:602 |
1 |
1 |
123 |
f |
[TD6]B:601 |
x,y,z |
1_555 |
6 |
1 |
710 |
37.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
63 |
|
[MN]D:602 |
1 |
1 |
123 |
f |
[TD6]D:601 |
x,y,z |
1_555 |
4 |
1 |
709 |
37.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
38.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.074 |
17 |
64 |
|
D |
2 |
1 |
22790 |
◊ |
C |
x-1,y+1,z |
1_465 |
4 |
1 |
22818 |
29.7 |
-0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
65 |
|
H |
4 |
1 |
22946 |
◊ |
G |
x-1,y+1,z |
1_465 |
3 |
1 |
22743 |
29.5 |
-0.5 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
29.6 |
-0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
18 |
66 |
|
F |
5 |
4 |
22723 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
22771 |
19.9 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
67 |
|
B |
5 |
3 |
22825 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
22883 |
17.3 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
Average: |
18.6 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
19 |
68 |
|
[GOL]C:603 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22790 |
16.1 |
0.6 |
0.831 |
0 |
0 |
0 |
0.000 |
69 |
|
[GOL]G:603 |
1 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
22946 |
15.3 |
0.6 |
0.677 |
0 |
0 |
0 |
0.000 |
70 |
|
[GOL]H:603 |
2 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
22743 |
14.5 |
0.6 |
0.762 |
0 |
0 |
0 |
0.000 |
71 |
|
[GOL]E:603 |
2 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
22723 |
13.6 |
0.6 |
0.765 |
0 |
0 |
0 |
0.000 |
72 |
|
[GOL]F:603 |
1 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
22883 |
12.9 |
0.5 |
0.668 |
0 |
0 |
0 |
0.000 |
73 |
|
[GOL]A:603 |
3 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
22825 |
12.1 |
0.5 |
0.741 |
0 |
0 |
0 |
0.000 |
74 |
|
[GOL]D:603 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22818 |
12.1 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
75 |
|
[GOL]B:603 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22771 |
11.1 |
0.4 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
0.5 |
0.728 |
0 |
0 |
0 |
0.000 |
20 |
76 |
|
C |
4 |
1 |
22818 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
22743 |
15.2 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
|