## |
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 |
151 |
45 |
20264 |
◊ |
C |
-x+1,-y,z |
4_655 |
152 |
45 |
20264 |
1297.8 |
-1.8 |
0.648 |
12 |
2 |
0 |
0.000 |
2 |
|
B |
145 |
41 |
20473 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
21259 |
1255.3 |
-4.0 |
0.517 |
12 |
0 |
0 |
0.000 |
Average: |
1276.6 |
-2.9 |
0.582 |
12 |
1 |
0 |
0.000 |
2 |
3 |
|
A |
95 |
25 |
21259 |
◊ |
A |
-x,-y,z |
4_555 |
94 |
25 |
21259 |
876.4 |
-2.1 |
0.570 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
73 |
24 |
20264 |
◊ |
B |
x,y,z |
1_555 |
70 |
23 |
20473 |
688.3 |
-3.0 |
0.438 |
8 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
49 |
15 |
20473 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
44 |
18 |
21259 |
395.0 |
-0.0 |
0.635 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
31 |
12 |
21259 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
38 |
12 |
20473 |
335.6 |
-1.0 |
0.405 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
33 |
13 |
21259 |
x |
A |
x-y,x,z+1/3 |
6_555 |
41 |
12 |
21259 |
304.0 |
-2.6 |
0.332 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
30 |
11 |
20264 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
26 |
10 |
20473 |
231.1 |
-1.0 |
0.475 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[HCT]B:511 |
13 |
1 |
335 |
f |
B |
x,y,z |
1_555 |
45 |
12 |
20473 |
230.4 |
1.2 |
0.385 |
5 |
0 |
0 |
0.005 |
10 |
|
[HCT]C:509 |
13 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
48 |
14 |
20264 |
221.0 |
1.1 |
0.364 |
6 |
0 |
0 |
0.005 |
11 |
|
[HCT]A:511 |
13 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
40 |
9 |
21259 |
212.8 |
0.7 |
0.390 |
4 |
0 |
0 |
0.005 |
Average: |
221.4 |
1.0 |
0.380 |
5 |
0 |
0 |
0.005 |
9 |
12 |
|
B |
25 |
7 |
20473 |
◊ |
A |
-x,-y,z |
4_555 |
24 |
8 |
21259 |
173.5 |
0.4 |
0.666 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
18 |
8 |
20264 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
18 |
8 |
21259 |
123.8 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[ACT]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
20473 |
120.9 |
-1.3 |
0.483 |
0 |
0 |
0 |
0.003 |
12 |
15 |
|
[ACT]A:504 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
21259 |
117.6 |
-1.3 |
0.523 |
1 |
0 |
0 |
0.004 |
13 |
16 |
|
[ACT]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
20264 |
116.6 |
-0.5 |
0.635 |
1 |
0 |
0 |
0.003 |
14 |
17 |
|
[GOL]B:513 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20473 |
115.8 |
0.2 |
0.566 |
2 |
0 |
0 |
0.002 |
15 |
18 |
|
[ACT]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
20473 |
111.6 |
-1.2 |
0.500 |
0 |
0 |
0 |
0.003 |
16 |
19 |
|
[ACT]B:507 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
13 |
10 |
20473 |
102.8 |
-0.7 |
0.586 |
0 |
0 |
0 |
0.001 |
17 |
20 |
|
[GOL]A:513 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21259 |
102.0 |
-0.5 |
0.515 |
3 |
0 |
0 |
0.004 |
18 |
21 |
|
[GOL]A:512 |
6 |
1 |
221 |
◊ |
A |
-x,-y,z |
4_555 |
16 |
5 |
21259 |
96.1 |
0.9 |
0.608 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
[GOL]A:514 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20473 |
95.2 |
-0.4 |
0.472 |
2 |
0 |
0 |
0.003 |
20 |
23 |
|
A |
12 |
4 |
21259 |
◊ |
C |
x-y-1,x-1,z+1/3 |
6_445 |
14 |
6 |
20264 |
94.3 |
-1.2 |
0.367 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
10 |
3 |
20473 |
x |
B |
x-y,x,z+1/3 |
6_555 |
14 |
5 |
20473 |
92.9 |
1.5 |
0.808 |
1 |
1 |
0 |
0.000 |
22 |
25 |
|
[ACT]C:505 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
20264 |
90.3 |
-0.7 |
0.562 |
3 |
0 |
0 |
0.006 |
23 |
26 |
|
[GOL]B:512 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
20473 |
90.1 |
-0.5 |
0.475 |
3 |
0 |
0 |
0.004 |
24 |
27 |
|
B |
15 |
6 |
20473 |
f |
[GOL]A:515 |
-y,x-y,z-1/3 |
2_554 |
5 |
1 |
220 |
89.3 |
0.2 |
0.588 |
3 |
0 |
0 |
0.003 |
25 |
28 |
|
[ACT]C:506 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
20264 |
88.4 |
-0.9 |
0.508 |
3 |
0 |
0 |
0.006 |
26 |
29 |
|
[GOL]A:512 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21259 |
88.3 |
-0.1 |
0.542 |
2 |
0 |
0 |
0.002 |
27 |
30 |
|
[ACT]A:507 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
21259 |
87.0 |
-0.3 |
0.644 |
1 |
0 |
0 |
0.002 |
28 |
31 |
|
[GOL]B:515 |
6 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
20473 |
86.6 |
-0.1 |
0.549 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[ACT]A:506 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21259 |
81.0 |
0.3 |
0.704 |
2 |
0 |
0 |
0.001 |
30 |
33 |
|
[CL]B:509 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20473 |
80.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.027 |
31 |
34 |
|
[SO4]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21259 |
71.3 |
-10.1 |
0.765 |
2 |
0 |
0 |
0.026 |
32 |
35 |
|
[GOL]B:514 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20473 |
70.6 |
-0.5 |
0.387 |
2 |
0 |
0 |
0.003 |
33 |
36 |
|
[GOL]A:514 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
21259 |
66.4 |
-0.7 |
0.393 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[CL]A:510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21259 |
66.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
38 |
|
[GOL]B:515 |
6 |
1 |
222 |
f |
A |
-y,x-y,z-1/3 |
2_554 |
10 |
4 |
21259 |
63.8 |
0.1 |
0.593 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
C |
10 |
4 |
20264 |
◊ |
A |
x-y,x,z-2/3 |
6_554 |
10 |
5 |
21259 |
59.2 |
1.0 |
0.781 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[ACT]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
21259 |
56.3 |
-0.5 |
0.519 |
1 |
0 |
0 |
0.002 |
38 |
41 |
|
[GOL]B:513 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
20264 |
52.7 |
0.5 |
0.609 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[NI]C:503 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
20264 |
52.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
|
[NI]B:503 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20473 |
51.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.016 |
44 |
|
[NI]A:503 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21259 |
42.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
48.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.016 |
40 |
45 |
|
[CL]B:510 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20473 |
51.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
46 |
|
C |
7 |
2 |
20264 |
◊ |
[ACT]A:507 |
-y,x-y,z-1/3 |
2_554 |
4 |
1 |
184 |
51.2 |
-0.6 |
0.647 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[GOL]B:515 |
5 |
1 |
222 |
◊ |
[GOL]A:515 |
-y,x-y,z-1/3 |
2_554 |
5 |
1 |
220 |
49.4 |
0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[CL]C:507 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20264 |
47.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
49 |
|
C |
10 |
4 |
20264 |
f |
[CL]A:509 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
125 |
46.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.017 |
50 |
|
[CL]B:508 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20473 |
46.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
46.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.017 |
45 |
51 |
|
[HCT]A:511 |
7 |
1 |
338 |
f |
[NI]A:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
42.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.015 |
52 |
|
[HCT]B:511 |
7 |
1 |
335 |
f |
[NI]B:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
41.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.015 |
53 |
|
[HCT]C:509 |
7 |
1 |
337 |
f |
[NI]C:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
39.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
41.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.015 |
46 |
54 |
|
[CL]C:508 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
20264 |
41.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.014 |
47 |
55 |
|
[ACT]B:505 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20473 |
38.1 |
-0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[ACT]A:506 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20473 |
34.6 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[CL]A:509 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
21259 |
34.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[GOL]A:515 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
21259 |
33.9 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[ACT]B:505 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20264 |
31.5 |
0.8 |
0.888 |
1 |
0 |
0 |
0.000 |
52 |
60 |
|
[CL]C:508 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20473 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[HCT]A:511 |
5 |
1 |
338 |
f |
[CL]A:510 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
54 |
62 |
|
[HCT]C:509 |
3 |
1 |
337 |
f |
[ACT]C:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.8 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[CL]A:510 |
1 |
1 |
125 |
f |
[NI]A:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.007 |
56 |
64 |
|
B |
1 |
1 |
20473 |
◊ |
[GOL]A:513 |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
218 |
8.2 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
B |
1 |
1 |
20473 |
◊ |
B |
-x,-y-1,z |
4_545 |
1 |
1 |
20473 |
5.8 |
0.4 |
0.885 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[ACT]C:506 |
3 |
1 |
184 |
f |
[NI]C:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|