## |
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 |
|
D |
221 |
57 |
13416 |
◊ |
C |
x,y,z |
1_555 |
213 |
53 |
13486 |
2178.4 |
-21.9 |
0.050 |
18 |
5 |
0 |
0.681 |
2 |
|
B |
217 |
52 |
13500 |
◊ |
A |
x,y,z |
1_555 |
212 |
54 |
13443 |
2143.8 |
-22.7 |
0.046 |
18 |
5 |
0 |
0.681 |
Average: |
2161.1 |
-22.3 |
0.048 |
18 |
5 |
0 |
0.681 |
2 |
3 |
|
I |
59 |
14 |
3226 |
◊ |
h |
x,y,z |
1_555 |
66 |
12 |
3251 |
587.5 |
-2.8 |
0.754 |
34 |
0 |
0 |
0.953 |
3 |
4 |
|
k |
56 |
6 |
3205 |
◊ |
D |
x,y,z |
1_555 |
79 |
25 |
13416 |
561.5 |
-9.0 |
0.373 |
11 |
0 |
0 |
0.457 |
5 |
|
i |
52 |
6 |
3003 |
◊ |
B |
x,y,z |
1_555 |
77 |
25 |
13500 |
546.0 |
-8.7 |
0.370 |
10 |
0 |
0 |
0.457 |
Average: |
553.8 |
-8.8 |
0.372 |
11 |
0 |
0 |
0.457 |
4 |
6 |
|
J |
58 |
14 |
3280 |
◊ |
k |
x,y,z |
1_555 |
63 |
12 |
3205 |
560.6 |
-8.1 |
0.608 |
37 |
0 |
0 |
1.000 |
5 |
7 |
|
K |
59 |
13 |
3042 |
◊ |
j |
x,y,z |
1_555 |
58 |
12 |
3253 |
560.0 |
-3.6 |
0.697 |
32 |
0 |
0 |
1.000 |
6 |
8 |
|
j |
53 |
6 |
3253 |
◊ |
C |
x,y,z |
1_555 |
77 |
25 |
13486 |
556.0 |
-9.6 |
0.301 |
10 |
0 |
0 |
0.274 |
7 |
9 |
|
h |
56 |
6 |
3251 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
13443 |
546.1 |
-8.8 |
0.347 |
10 |
0 |
0 |
0.223 |
8 |
10 |
|
i |
56 |
11 |
3003 |
◊ |
H |
x,y,z |
1_555 |
48 |
12 |
2891 |
503.1 |
-6.8 |
0.634 |
31 |
0 |
0 |
1.000 |
9 |
11 |
|
I |
36 |
6 |
3226 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
13443 |
417.8 |
-6.6 |
0.395 |
9 |
0 |
0 |
0.178 |
10 |
12 |
|
J |
37 |
6 |
3280 |
◊ |
D |
x,y,z |
1_555 |
47 |
16 |
13416 |
391.7 |
-5.7 |
0.447 |
8 |
0 |
0 |
0.145 |
11 |
13 |
|
K |
36 |
6 |
3042 |
◊ |
C |
x,y,z |
1_555 |
46 |
15 |
13486 |
390.9 |
-5.8 |
0.421 |
8 |
0 |
0 |
0.183 |
12 |
14 |
|
H |
37 |
6 |
2891 |
◊ |
B |
x,y,z |
1_555 |
46 |
15 |
13500 |
387.4 |
-5.6 |
0.501 |
8 |
0 |
0 |
0.175 |
13 |
15 |
|
I |
39 |
4 |
3226 |
◊ |
B |
x,y,z |
1_555 |
40 |
15 |
13500 |
365.5 |
-6.3 |
0.446 |
5 |
0 |
0 |
0.081 |
14 |
16 |
|
J |
41 |
4 |
3280 |
◊ |
C |
x,y,z |
1_555 |
43 |
16 |
13486 |
361.4 |
-6.1 |
0.453 |
7 |
0 |
0 |
0.151 |
15 |
17 |
|
K |
42 |
4 |
3042 |
◊ |
D |
x,y,z |
1_555 |
41 |
16 |
13416 |
360.4 |
-6.5 |
0.409 |
4 |
0 |
0 |
0.083 |
16 |
18 |
|
H |
42 |
4 |
2891 |
◊ |
A |
x,y,z |
1_555 |
41 |
16 |
13443 |
356.6 |
-6.1 |
0.497 |
4 |
0 |
0 |
0.050 |
17 |
19 |
|
D |
44 |
15 |
13416 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
13443 |
352.2 |
0.4 |
0.641 |
5 |
0 |
0 |
0.000 |
18 |
20 |
|
i |
35 |
4 |
3003 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
13443 |
244.1 |
2.0 |
0.750 |
2 |
0 |
0 |
0.000 |
21 |
|
k |
36 |
5 |
3205 |
◊ |
C |
x,y,z |
1_555 |
27 |
7 |
13486 |
229.0 |
2.1 |
0.767 |
2 |
0 |
0 |
0.000 |
Average: |
236.6 |
2.0 |
0.758 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
h |
36 |
5 |
3251 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
13500 |
241.7 |
1.8 |
0.747 |
2 |
0 |
0 |
0.000 |
23 |
|
j |
36 |
5 |
3253 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
13416 |
241.7 |
1.8 |
0.693 |
2 |
0 |
0 |
0.000 |
Average: |
241.7 |
1.8 |
0.720 |
2 |
0 |
0 |
0.000 |
20 |
24 |
|
D |
29 |
7 |
13416 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
13500 |
241.0 |
1.8 |
0.748 |
6 |
5 |
0 |
0.000 |
21 |
25 |
|
A |
27 |
6 |
13443 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
23 |
8 |
13486 |
229.8 |
3.2 |
0.800 |
2 |
1 |
0 |
0.000 |
22 |
26 |
|
C |
19 |
4 |
13486 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
7 |
13416 |
180.6 |
0.8 |
0.661 |
1 |
1 |
0 |
0.000 |
23 |
27 |
|
B |
16 |
5 |
13500 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
19 |
6 |
13486 |
179.4 |
3.0 |
0.862 |
3 |
4 |
0 |
0.000 |
24 |
28 |
|
A |
19 |
6 |
13443 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
13416 |
151.9 |
2.7 |
0.855 |
7 |
0 |
0 |
0.000 |
25 |
29 |
|
k |
22 |
2 |
3205 |
◊ |
j |
x,y,z |
1_555 |
22 |
2 |
3253 |
135.1 |
4.9 |
0.892 |
2 |
0 |
0 |
0.000 |
26 |
30 |
|
i |
22 |
2 |
3003 |
◊ |
h |
x,y,z |
1_555 |
22 |
2 |
3251 |
134.8 |
4.9 |
0.890 |
2 |
0 |
0 |
0.000 |
27 |
31 |
|
B |
15 |
7 |
13500 |
◊ |
J |
x,y,z-1 |
1_554 |
15 |
4 |
3280 |
133.3 |
-4.6 |
0.286 |
2 |
0 |
0 |
0.002 |
28 |
32 |
|
j |
16 |
3 |
3253 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
13443 |
132.2 |
-3.2 |
0.278 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
I |
11 |
3 |
3226 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
5 |
13486 |
116.3 |
-4.4 |
0.253 |
2 |
0 |
0 |
0.000 |
30 |
34 |
|
[ACT]B:302 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13500 |
102.6 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]D:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
13416 |
101.5 |
3.2 |
0.398 |
2 |
0 |
0 |
0.000 |
32 |
36 |
|
C |
10 |
4 |
13486 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
6 |
13500 |
96.8 |
1.7 |
0.817 |
1 |
1 |
0 |
0.000 |
33 |
37 |
|
A |
8 |
2 |
13443 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
11 |
1 |
3226 |
85.8 |
-0.2 |
0.399 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
i |
9 |
2 |
3003 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
13443 |
85.3 |
-3.6 |
0.262 |
1 |
0 |
0 |
0.002 |
35 |
39 |
|
J |
11 |
1 |
3280 |
◊ |
j |
x,y,z |
1_555 |
12 |
1 |
3253 |
83.9 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
i |
13 |
1 |
3003 |
◊ |
I |
x,y,z |
1_555 |
10 |
1 |
3226 |
83.6 |
0.3 |
0.663 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
B |
12 |
4 |
13500 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
7 |
13443 |
82.8 |
1.6 |
0.796 |
1 |
1 |
0 |
0.000 |
38 |
42 |
|
K |
11 |
1 |
3042 |
◊ |
k |
x,y,z |
1_555 |
12 |
1 |
3205 |
78.3 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
h |
13 |
1 |
3251 |
◊ |
H |
x,y,z |
1_555 |
10 |
1 |
2891 |
78.1 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]A:303 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
13443 |
76.7 |
1.7 |
0.236 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
K |
5 |
2 |
3042 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
4 |
13443 |
72.7 |
0.4 |
0.630 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]A:303 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
13416 |
68.3 |
1.4 |
0.618 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[EDO]I:101 |
3 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
3226 |
62.4 |
0.6 |
0.744 |
2 |
0 |
0 |
0.016 |
44 |
48 |
|
B |
10 |
2 |
13500 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
13416 |
57.2 |
0.1 |
0.613 |
1 |
0 |
0 |
0.000 |
45 |
49 |
|
D |
7 |
2 |
13416 |
◊ |
k |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
3205 |
42.0 |
-1.5 |
0.319 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13486 |
41.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.316 |
51 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13500 |
40.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.316 |
52 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
13416 |
34.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.316 |
53 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13443 |
33.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.316 |
54 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
13416 |
29.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.316 |
55 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13443 |
28.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.316 |
Average: |
34.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.316 |
47 |
56 |
|
A |
4 |
2 |
13443 |
◊ |
h |
-x,y-1/2,-z |
2_545 |
7 |
1 |
3251 |
40.5 |
-0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
K |
3 |
1 |
3042 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
13486 |
38.5 |
1.2 |
0.792 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
C |
5 |
3 |
13486 |
f |
[ACT]B:302 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
183 |
38.1 |
-0.6 |
0.396 |
0 |
0 |
0 |
0.014 |
50 |
59 |
|
[EDO]I:101 |
3 |
1 |
183 |
f |
h |
x,y,z |
1_555 |
4 |
2 |
3251 |
37.5 |
0.3 |
0.644 |
2 |
0 |
0 |
0.100 |
51 |
60 |
|
A |
3 |
1 |
13443 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
13486 |
28.9 |
0.5 |
0.767 |
1 |
0 |
0 |
0.000 |
52 |
61 |
|
K |
4 |
1 |
3042 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
13443 |
28.7 |
-1.0 |
0.461 |
1 |
0 |
0 |
0.000 |
53 |
62 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
j |
x,y,z |
1_555 |
6 |
2 |
3253 |
27.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.102 |
63 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
h |
x,y,z |
1_555 |
4 |
1 |
3251 |
26.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.102 |
64 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
h |
x,y,z |
1_555 |
6 |
2 |
3251 |
23.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
25.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.102 |
54 |
65 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
i |
x,y,z |
1_555 |
5 |
2 |
3003 |
27.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.199 |
66 |
|
[MG]D:302 |
1 |
1 |
98 |
◊ |
k |
x,y,z |
1_555 |
3 |
1 |
3205 |
25.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.199 |
67 |
|
[MG]D:301 |
1 |
1 |
98 |
◊ |
k |
x,y,z |
1_555 |
4 |
2 |
3205 |
22.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
25.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.199 |
55 |
68 |
|
H |
2 |
1 |
2891 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
13416 |
23.5 |
-0.5 |
0.470 |
1 |
0 |
0 |
0.000 |
56 |
69 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2891 |
21.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
70 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2891 |
7.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
14.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
71 |
|
[MG]D:302 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
3042 |
20.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.030 |
72 |
|
[MG]D:301 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
3042 |
6.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
13.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.030 |
58 |
73 |
|
D |
2 |
1 |
13416 |
◊ |
[ACT]B:302 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
183 |
20.8 |
0.5 |
0.691 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
60 |
75 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.075 |
61 |
76 |
|
J |
2 |
1 |
3280 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
13416 |
16.3 |
-0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
62 |
77 |
|
H |
5 |
1 |
2891 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
13416 |
16.1 |
-0.7 |
0.517 |
0 |
0 |
0 |
0.000 |
63 |
78 |
|
[EDO]D:303 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
13486 |
15.8 |
0.0 |
0.393 |
0 |
0 |
0 |
0.000 |
64 |
79 |
|
H |
6 |
2 |
2891 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13486 |
15.4 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
65 |
80 |
|
[EDO]I:101 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13443 |
14.5 |
0.7 |
0.634 |
0 |
0 |
0 |
0.000 |
66 |
81 |
|
i |
3 |
1 |
3003 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13416 |
14.4 |
0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
67 |
82 |
|
B |
3 |
1 |
13500 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
13416 |
10.3 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
68 |
83 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
3226 |
6.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
84 |
|
j |
3 |
1 |
3253 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
13416 |
6.6 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
70 |
85 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
3280 |
6.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
71 |
86 |
|
j |
2 |
2 |
3253 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
13500 |
6.2 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
72 |
87 |
|
B |
1 |
1 |
13500 |
◊ |
k |
x,y,z-1 |
1_554 |
1 |
1 |
3205 |
6.1 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
73 |
88 |
|
B |
1 |
1 |
13500 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
13486 |
2.6 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
74 |
89 |
|
K |
1 |
1 |
3042 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
3280 |
1.8 |
-0.2 |
0.241 |
0 |
0 |
0 |
0.003 |
75 |
90 |
|
I |
1 |
1 |
3226 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2891 |
1.5 |
-0.2 |
0.265 |
0 |
0 |
0 |
0.001 |
|