## |
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 |
|
J |
662 |
147 |
32780 |
◊ |
I |
x,y,z |
1_555 |
659 |
147 |
32781 |
6498.1 |
-72.9 |
0.990 |
366 |
0 |
0 |
0.788 |
2 |
2 |
|
F |
244 |
56 |
7661 |
◊ |
E |
x,y,z |
1_555 |
264 |
59 |
8833 |
2551.0 |
-43.4 |
0.029 |
26 |
5 |
0 |
1.000 |
3 |
|
B |
226 |
52 |
6855 |
◊ |
A |
x,y,z |
1_555 |
251 |
57 |
8719 |
2445.3 |
-37.5 |
0.067 |
23 |
8 |
0 |
1.000 |
Average: |
2498.2 |
-40.4 |
0.048 |
25 |
7 |
0 |
1.000 |
3 |
4 |
|
D |
254 |
63 |
8448 |
◊ |
C |
x,y,z |
1_555 |
238 |
61 |
8712 |
2482.8 |
-43.8 |
0.025 |
22 |
7 |
0 |
1.000 |
5 |
|
H |
258 |
62 |
7949 |
◊ |
G |
x,y,z |
1_555 |
247 |
62 |
8546 |
2472.8 |
-45.8 |
0.023 |
19 |
7 |
0 |
1.000 |
Average: |
2477.8 |
-44.8 |
0.024 |
21 |
7 |
0 |
1.000 |
4 |
6 |
|
I |
111 |
22 |
32781 |
◊ |
E |
x,y,z |
1_555 |
80 |
24 |
8833 |
788.8 |
-5.6 |
0.841 |
13 |
0 |
0 |
0.214 |
7 |
|
J |
105 |
21 |
32780 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
8719 |
779.0 |
-6.3 |
0.815 |
12 |
0 |
0 |
0.214 |
Average: |
783.9 |
-5.9 |
0.828 |
13 |
0 |
0 |
0.214 |
5 |
8 |
|
I |
90 |
17 |
32781 |
◊ |
A |
x,y,z |
1_555 |
80 |
25 |
8719 |
738.6 |
-11.9 |
0.580 |
15 |
0 |
0 |
0.415 |
9 |
|
J |
87 |
17 |
32780 |
◊ |
E |
x,y,z |
1_555 |
76 |
24 |
8833 |
712.8 |
-11.2 |
0.599 |
15 |
0 |
0 |
0.415 |
Average: |
725.7 |
-11.5 |
0.590 |
15 |
0 |
0 |
0.415 |
6 |
10 |
|
G |
62 |
17 |
8546 |
◊ |
A |
x,y,z |
1_555 |
59 |
21 |
8719 |
653.5 |
-7.8 |
0.293 |
8 |
0 |
0 |
1.000 |
11 |
|
C |
63 |
16 |
8712 |
◊ |
E |
x,y,z |
1_555 |
58 |
20 |
8833 |
642.1 |
-7.6 |
0.318 |
8 |
0 |
0 |
1.000 |
Average: |
647.8 |
-7.7 |
0.306 |
8 |
0 |
0 |
1.000 |
7 |
12 |
|
E |
58 |
15 |
8833 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
8719 |
619.4 |
-7.2 |
0.384 |
4 |
6 |
0 |
0.081 |
8 |
13 |
|
I |
77 |
16 |
32781 |
◊ |
D |
x,y,z |
1_555 |
65 |
19 |
8448 |
553.8 |
-3.2 |
0.822 |
12 |
0 |
0 |
0.093 |
14 |
|
J |
56 |
13 |
32780 |
◊ |
H |
x,y,z |
1_555 |
46 |
16 |
7949 |
414.8 |
-4.4 |
0.719 |
10 |
0 |
0 |
0.093 |
Average: |
484.3 |
-3.8 |
0.771 |
11 |
0 |
0 |
0.093 |
9 |
15 |
|
J |
66 |
12 |
32780 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
8448 |
505.7 |
1.2 |
0.903 |
8 |
0 |
0 |
0.022 |
16 |
|
I |
43 |
8 |
32781 |
◊ |
H |
x,y,z |
1_555 |
39 |
12 |
7949 |
356.9 |
-1.8 |
0.767 |
5 |
0 |
0 |
0.022 |
Average: |
431.3 |
-0.3 |
0.835 |
7 |
0 |
0 |
0.022 |
10 |
17 |
|
D |
50 |
13 |
8448 |
◊ |
B |
x,y,z |
1_555 |
49 |
11 |
6855 |
481.9 |
-1.2 |
0.692 |
7 |
2 |
0 |
0.035 |
18 |
|
H |
50 |
12 |
7949 |
◊ |
F |
x,y,z |
1_555 |
50 |
11 |
7661 |
473.3 |
-2.2 |
0.636 |
6 |
2 |
0 |
0.035 |
Average: |
477.6 |
-1.7 |
0.664 |
7 |
2 |
0 |
0.035 |
11 |
19 |
|
I |
55 |
13 |
32781 |
◊ |
G |
x,y,z |
1_555 |
47 |
17 |
8546 |
438.8 |
-5.1 |
0.674 |
9 |
0 |
0 |
0.049 |
20 |
|
J |
56 |
13 |
32780 |
◊ |
C |
x,y,z |
1_555 |
48 |
18 |
8712 |
421.2 |
-4.3 |
0.703 |
9 |
0 |
0 |
0.049 |
Average: |
430.0 |
-4.7 |
0.688 |
9 |
0 |
0 |
0.049 |
12 |
21 |
|
G |
46 |
15 |
8546 |
◊ |
B |
x,y,z |
1_555 |
49 |
13 |
6855 |
417.0 |
-3.0 |
0.481 |
6 |
0 |
0 |
0.052 |
22 |
|
C |
44 |
14 |
8712 |
◊ |
F |
x,y,z |
1_555 |
47 |
11 |
7661 |
383.3 |
-3.8 |
0.400 |
5 |
0 |
0 |
0.052 |
Average: |
400.1 |
-3.4 |
0.441 |
6 |
0 |
0 |
0.052 |
13 |
23 |
|
J |
49 |
11 |
32780 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
6855 |
406.9 |
-8.3 |
0.477 |
6 |
0 |
0 |
0.095 |
24 |
|
I |
42 |
8 |
32781 |
◊ |
F |
x,y,z |
1_555 |
38 |
13 |
7661 |
335.9 |
-6.9 |
0.486 |
5 |
0 |
0 |
0.095 |
Average: |
371.4 |
-7.6 |
0.482 |
6 |
0 |
0 |
0.095 |
14 |
25 |
|
J |
55 |
11 |
32780 |
◊ |
G |
x,y,z |
1_555 |
49 |
14 |
8546 |
398.8 |
-3.9 |
0.718 |
9 |
0 |
0 |
0.145 |
26 |
|
I |
56 |
12 |
32781 |
◊ |
C |
x,y,z |
1_555 |
49 |
15 |
8712 |
397.0 |
-4.5 |
0.697 |
5 |
0 |
0 |
0.145 |
Average: |
397.9 |
-4.2 |
0.707 |
7 |
0 |
0 |
0.145 |
15 |
27 |
|
J |
42 |
13 |
32780 |
◊ |
F |
x,y,z |
1_555 |
31 |
13 |
7661 |
294.1 |
-3.2 |
0.669 |
3 |
0 |
0 |
0.043 |
28 |
|
I |
38 |
10 |
32781 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
6855 |
265.5 |
-1.0 |
0.754 |
4 |
0 |
0 |
0.043 |
Average: |
279.8 |
-2.1 |
0.711 |
4 |
0 |
0 |
0.043 |
16 |
29 |
|
D |
32 |
10 |
8448 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
9 |
7661 |
287.8 |
-1.0 |
0.620 |
2 |
1 |
0 |
0.004 |
17 |
30 |
|
C |
31 |
10 |
8712 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
7 |
7661 |
251.7 |
-0.8 |
0.605 |
3 |
5 |
0 |
0.005 |
18 |
31 |
|
H |
34 |
11 |
7949 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
6855 |
250.7 |
-1.4 |
0.620 |
5 |
1 |
0 |
0.036 |
32 |
|
D |
32 |
11 |
8448 |
◊ |
F |
x,y,z |
1_555 |
27 |
6 |
7661 |
234.7 |
-2.4 |
0.492 |
4 |
0 |
0 |
0.036 |
Average: |
242.7 |
-1.9 |
0.556 |
5 |
1 |
0 |
0.036 |
19 |
33 |
|
D |
16 |
6 |
8448 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
5 |
32780 |
142.1 |
-1.0 |
0.629 |
1 |
0 |
0 |
0.003 |
20 |
34 |
|
G |
16 |
4 |
8546 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8712 |
126.0 |
0.1 |
0.692 |
1 |
0 |
0 |
0.001 |
21 |
35 |
|
A |
11 |
3 |
8719 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
3 |
32780 |
117.4 |
-1.3 |
0.600 |
2 |
0 |
0 |
0.000 |
22 |
36 |
|
J |
16 |
5 |
32780 |
◊ |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
19 |
4 |
32781 |
104.1 |
-2.4 |
0.597 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
I |
13 |
1 |
32781 |
◊ |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
13 |
1 |
32780 |
84.2 |
3.7 |
0.908 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
C |
11 |
3 |
8712 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8833 |
80.3 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
D |
12 |
4 |
8448 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
32781 |
72.7 |
-1.8 |
0.492 |
0 |
0 |
0 |
0.003 |
26 |
40 |
|
D |
5 |
2 |
8448 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8546 |
68.8 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.005 |
41 |
|
H |
6 |
3 |
7949 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8712 |
62.8 |
-0.5 |
0.518 |
1 |
0 |
0 |
0.005 |
Average: |
65.8 |
-0.4 |
0.551 |
1 |
0 |
0 |
0.005 |
27 |
42 |
|
J |
9 |
1 |
32780 |
x |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
9 |
1 |
32780 |
68.3 |
1.4 |
0.760 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
D |
6 |
4 |
8448 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
8833 |
63.3 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[MN]J:105 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32780 |
56.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.115 |
45 |
|
[MN]I:107 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
32781 |
56.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
56.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.115 |
30 |
46 |
|
J |
10 |
3 |
32780 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
32781 |
54.9 |
-3.6 |
0.304 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
[MN]I:106 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32781 |
53.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.092 |
48 |
|
[MN]J:103 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32780 |
52.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
53.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.092 |
32 |
49 |
|
[MN]J:104 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32780 |
53.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.093 |
50 |
|
[MN]I:102 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32781 |
50.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
51.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
51 |
|
I |
5 |
2 |
32781 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
7949 |
52.8 |
-2.2 |
0.345 |
2 |
0 |
0 |
0.000 |
34 |
52 |
|
[MN]J:101 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32780 |
51.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
53 |
|
[MN]I:103 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32781 |
51.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
51.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
35 |
54 |
|
[MN]I:101 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32781 |
51.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.074 |
36 |
55 |
|
[MN]I:104 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32781 |
49.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.078 |
56 |
|
[MN]J:102 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32780 |
49.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
49.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.078 |
37 |
57 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8833 |
47.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
58 |
|
[MN]I:105 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
32780 |
38.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.015 |
59 |
|
[MN]J:106 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
32781 |
37.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
37.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
60 |
|
[MN]I:105 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
32781 |
38.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.072 |
61 |
|
[MN]J:106 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
6 |
2 |
32780 |
37.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
37.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.072 |
40 |
62 |
|
[MN]I:101 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
32780 |
37.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
63 |
|
D |
7 |
4 |
8448 |
◊ |
[MN]E:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
35.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
64 |
|
[MN]J:102 |
1 |
1 |
123 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
32781 |
29.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
C |
1 |
1 |
8712 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8719 |
28.8 |
0.5 |
0.808 |
1 |
0 |
0 |
0.000 |
66 |
|
G |
1 |
1 |
8546 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8833 |
5.6 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
Average: |
17.2 |
0.2 |
0.679 |
1 |
0 |
0 |
0.000 |
44 |
67 |
|
J |
7 |
2 |
32780 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
7949 |
27.8 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
45 |
68 |
|
J |
3 |
1 |
32780 |
◊ |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
8719 |
27.2 |
-0.9 |
0.437 |
1 |
0 |
0 |
0.000 |
46 |
69 |
|
E |
3 |
1 |
8833 |
◊ |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
3 |
1 |
32781 |
24.3 |
0.5 |
0.644 |
1 |
0 |
0 |
0.000 |
47 |
70 |
|
[MN]I:104 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
32780 |
22.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
71 |
|
[MN]J:102 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
32781 |
22.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
22.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
48 |
72 |
|
I |
3 |
1 |
32781 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
8546 |
22.6 |
-0.5 |
0.517 |
1 |
0 |
0 |
0.000 |
49 |
73 |
|
[MN]I:107 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
32780 |
22.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
74 |
|
[MN]J:105 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
32781 |
21.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
21.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
50 |
75 |
|
I |
3 |
1 |
32781 |
x |
I |
x-1,y,z |
1_455 |
5 |
2 |
32781 |
18.0 |
-1.6 |
0.385 |
0 |
0 |
0 |
0.000 |
51 |
76 |
|
I |
3 |
2 |
32781 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
32780 |
16.3 |
-1.2 |
0.427 |
0 |
0 |
0 |
0.000 |
52 |
77 |
|
C |
3 |
1 |
8712 |
◊ |
[MN]E:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
15.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
78 |
|
D |
2 |
1 |
8448 |
◊ |
[MN]I:101 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
15.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
79 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7661 |
14.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
80 |
|
[MN]I:106 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32780 |
9.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
81 |
|
[MN]J:103 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32781 |
8.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
9.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
82 |
|
[MN]J:104 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32781 |
9.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
83 |
|
[MN]J:101 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32781 |
6.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
84 |
|
[MN]I:103 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32780 |
6.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
6.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
58 |
85 |
|
J |
1 |
1 |
32780 |
x |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
32780 |
5.2 |
-0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
59 |
86 |
|
C |
1 |
1 |
8712 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32780 |
5.2 |
-0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
60 |
87 |
|
B |
1 |
1 |
6855 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32780 |
0.3 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
61 |
88 |
|
B |
1 |
1 |
6855 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32781 |
0.2 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
|