## |
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 |
270 |
66 |
19966 |
◊ |
C |
x,y,z |
1_555 |
272 |
67 |
20262 |
2724.4 |
-42.6 |
0.003 |
34 |
0 |
0 |
0.450 |
2 |
|
H |
266 |
68 |
20151 |
◊ |
G |
x,y,z |
1_555 |
274 |
67 |
20278 |
2719.8 |
-42.5 |
0.002 |
34 |
0 |
0 |
0.450 |
3 |
|
B |
271 |
66 |
20061 |
◊ |
A |
x,y,z |
1_555 |
273 |
67 |
20322 |
2714.6 |
-42.5 |
0.002 |
31 |
0 |
0 |
0.450 |
4 |
|
F |
271 |
67 |
20025 |
◊ |
E |
x,y,z |
1_555 |
272 |
67 |
20146 |
2710.9 |
-42.8 |
0.002 |
31 |
0 |
0 |
0.450 |
Average: |
2717.4 |
-42.6 |
0.002 |
33 |
0 |
0 |
0.450 |
2 |
5 |
|
B |
67 |
18 |
20061 |
x |
B |
-y,x-y,z |
2_555 |
57 |
17 |
20061 |
611.1 |
-6.3 |
0.262 |
6 |
4 |
0 |
0.170 |
6 |
|
F |
56 |
17 |
20025 |
x |
F |
-y+1,x-y,z |
2_655 |
66 |
18 |
20025 |
609.1 |
-6.8 |
0.240 |
6 |
4 |
0 |
0.170 |
7 |
|
D |
58 |
18 |
19966 |
x |
D |
-y+1,x-y,z |
2_655 |
63 |
18 |
19966 |
605.0 |
-7.0 |
0.224 |
6 |
4 |
0 |
0.170 |
8 |
|
H |
63 |
18 |
20151 |
x |
H |
-y,x-y,z |
2_555 |
58 |
18 |
20151 |
604.0 |
-6.2 |
0.254 |
5 |
4 |
0 |
0.170 |
Average: |
607.3 |
-6.6 |
0.245 |
6 |
4 |
0 |
0.170 |
3 |
9 |
|
[NAD]D:500 |
43 |
1 |
835 |
f |
D |
x,y,z |
1_555 |
85 |
32 |
19966 |
608.2 |
-6.9 |
0.514 |
17 |
0 |
0 |
0.241 |
10 |
|
[NAD]F:500 |
43 |
1 |
838 |
f |
F |
x,y,z |
1_555 |
82 |
30 |
20025 |
605.6 |
-7.3 |
0.486 |
15 |
0 |
0 |
0.241 |
11 |
|
[NAD]H:500 |
43 |
1 |
833 |
f |
H |
x,y,z |
1_555 |
86 |
31 |
20151 |
604.7 |
-7.0 |
0.506 |
16 |
0 |
0 |
0.241 |
12 |
|
[NAD]B:500 |
43 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
85 |
30 |
20061 |
602.3 |
-7.2 |
0.511 |
15 |
0 |
0 |
0.241 |
Average: |
605.2 |
-7.1 |
0.504 |
16 |
0 |
0 |
0.241 |
4 |
13 |
|
A |
59 |
16 |
20322 |
x |
A |
-y,x-y,z |
2_555 |
57 |
16 |
20322 |
607.9 |
-5.0 |
0.363 |
7 |
4 |
0 |
0.064 |
14 |
|
E |
58 |
16 |
20146 |
x |
E |
-y+1,x-y,z |
2_655 |
57 |
16 |
20146 |
606.0 |
-5.1 |
0.367 |
7 |
4 |
0 |
0.064 |
15 |
|
G |
57 |
15 |
20278 |
x |
G |
-y,x-y,z |
2_555 |
58 |
17 |
20278 |
599.1 |
-5.7 |
0.328 |
7 |
4 |
0 |
0.064 |
16 |
|
C |
55 |
15 |
20262 |
x |
C |
-y+1,x-y,z |
2_655 |
55 |
15 |
20262 |
596.2 |
-5.2 |
0.371 |
7 |
4 |
0 |
0.064 |
Average: |
602.3 |
-5.3 |
0.357 |
7 |
4 |
0 |
0.064 |
5 |
17 |
|
A |
62 |
19 |
20322 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
66 |
19 |
20262 |
541.7 |
-1.5 |
0.702 |
4 |
2 |
0 |
0.000 |
18 |
|
G |
63 |
19 |
20278 |
◊ |
E |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
63 |
19 |
20146 |
539.5 |
-1.7 |
0.689 |
4 |
2 |
0 |
0.000 |
Average: |
540.6 |
-1.6 |
0.696 |
4 |
2 |
0 |
0.000 |
6 |
19 |
|
[UGA]G:501 |
36 |
1 |
693 |
f |
G |
x,y,z |
1_555 |
63 |
25 |
20278 |
492.7 |
-9.0 |
0.476 |
12 |
0 |
0 |
0.245 |
20 |
|
[UGA]C:501 |
37 |
1 |
694 |
f |
C |
x,y,z |
1_555 |
65 |
25 |
20262 |
489.7 |
-8.9 |
0.518 |
14 |
0 |
0 |
0.245 |
21 |
|
[UGA]A:501 |
37 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
64 |
24 |
20322 |
488.1 |
-8.8 |
0.480 |
15 |
0 |
0 |
0.245 |
22 |
|
[UGA]E:501 |
37 |
1 |
697 |
f |
E |
x,y,z |
1_555 |
64 |
23 |
20146 |
487.4 |
-8.8 |
0.495 |
14 |
0 |
0 |
0.245 |
23 |
|
[UGA]B:501 |
35 |
1 |
687 |
f |
B |
x,y,z |
1_555 |
65 |
23 |
20061 |
458.5 |
-8.6 |
0.501 |
14 |
0 |
0 |
0.245 |
24 |
|
[UGA]H:501 |
36 |
1 |
686 |
f |
H |
x,y,z |
1_555 |
68 |
23 |
20151 |
457.7 |
-8.1 |
0.521 |
15 |
0 |
0 |
0.245 |
25 |
|
[UGA]F:501 |
36 |
1 |
683 |
f |
F |
x,y,z |
1_555 |
66 |
23 |
20025 |
457.7 |
-8.6 |
0.496 |
14 |
0 |
0 |
0.245 |
26 |
|
[UGA]D:501 |
36 |
1 |
685 |
f |
D |
x,y,z |
1_555 |
64 |
23 |
19966 |
454.9 |
-8.3 |
0.523 |
14 |
0 |
0 |
0.245 |
Average: |
473.3 |
-8.6 |
0.501 |
14 |
0 |
0 |
0.245 |
7 |
27 |
|
[NAD]E:500 |
27 |
1 |
574 |
f |
E |
x,y,z |
1_555 |
53 |
19 |
20146 |
382.3 |
-2.2 |
0.444 |
7 |
0 |
0 |
0.042 |
28 |
|
[NAD]A:500 |
27 |
1 |
572 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
20322 |
380.1 |
-2.1 |
0.450 |
7 |
0 |
0 |
0.042 |
29 |
|
[NAD]G:500 |
27 |
1 |
573 |
f |
G |
x,y,z |
1_555 |
55 |
21 |
20278 |
379.2 |
-2.0 |
0.467 |
7 |
0 |
0 |
0.042 |
30 |
|
[NAD]C:500 |
26 |
1 |
571 |
f |
C |
x,y,z |
1_555 |
55 |
21 |
20262 |
378.0 |
-1.7 |
0.506 |
7 |
0 |
0 |
0.042 |
Average: |
379.9 |
-2.0 |
0.467 |
7 |
0 |
0 |
0.042 |
8 |
31 |
|
D |
27 |
9 |
19966 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
20061 |
197.7 |
0.8 |
0.786 |
2 |
0 |
0 |
0.000 |
32 |
|
H |
22 |
8 |
20151 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
20025 |
178.9 |
-0.7 |
0.572 |
2 |
0 |
0 |
0.000 |
Average: |
188.3 |
0.0 |
0.679 |
2 |
0 |
0 |
0.000 |
9 |
33 |
|
E |
24 |
7 |
20146 |
◊ |
A |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
24 |
8 |
20322 |
193.5 |
-1.2 |
0.542 |
0 |
0 |
0 |
0.000 |
10 |
34 |
|
[EDO]B:5001 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
20322 |
72.7 |
1.9 |
0.448 |
2 |
0 |
0 |
0.000 |
11 |
35 |
|
[EDO]C:5002 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
20262 |
72.6 |
2.0 |
0.462 |
2 |
0 |
0 |
0.000 |
12 |
36 |
|
F |
10 |
4 |
20025 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
20262 |
72.5 |
-0.3 |
0.575 |
1 |
2 |
0 |
0.000 |
37 |
|
G |
6 |
2 |
20278 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20061 |
65.1 |
0.4 |
0.646 |
1 |
2 |
0 |
0.000 |
Average: |
68.8 |
0.0 |
0.610 |
1 |
2 |
0 |
0.000 |
13 |
38 |
|
[EDO]F:5003 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
20025 |
72.4 |
2.0 |
0.443 |
2 |
0 |
0 |
0.000 |
39 |
|
[EDO]G:5004 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
20151 |
71.7 |
1.9 |
0.444 |
2 |
0 |
0 |
0.000 |
Average: |
72.0 |
2.0 |
0.444 |
2 |
0 |
0 |
0.000 |
14 |
40 |
|
[EDO]F:5003 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
20146 |
71.9 |
1.9 |
0.447 |
2 |
0 |
0 |
0.000 |
41 |
|
[EDO]G:5004 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
20278 |
71.9 |
1.9 |
0.447 |
2 |
0 |
0 |
0.000 |
Average: |
71.9 |
1.9 |
0.447 |
2 |
0 |
0 |
0.000 |
15 |
42 |
|
[EDO]B:5001 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20061 |
71.2 |
2.0 |
0.455 |
2 |
0 |
0 |
0.000 |
43 |
|
[EDO]C:5002 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
19966 |
70.5 |
1.9 |
0.446 |
2 |
0 |
0 |
0.000 |
Average: |
70.8 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
16 |
44 |
|
[CL]H:4008 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
20151 |
70.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.187 |
45 |
|
[CL]F:4007 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
20025 |
70.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.187 |
46 |
|
[CL]D:4006 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
19966 |
70.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.187 |
47 |
|
[CL]B:4005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20061 |
70.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
70.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.187 |
17 |
48 |
|
[NAD]B:500 |
10 |
1 |
832 |
f |
[UGA]B:501 |
x,y,z |
1_555 |
6 |
1 |
687 |
70.2 |
-1.1 |
0.631 |
0 |
0 |
0 |
0.017 |
49 |
|
[NAD]H:500 |
10 |
1 |
833 |
f |
[UGA]H:501 |
x,y,z |
1_555 |
6 |
1 |
686 |
70.0 |
-1.0 |
0.625 |
0 |
0 |
0 |
0.017 |
50 |
|
[NAD]F:500 |
9 |
1 |
838 |
f |
[UGA]F:501 |
x,y,z |
1_555 |
6 |
1 |
683 |
69.2 |
-1.0 |
0.609 |
0 |
0 |
0 |
0.017 |
51 |
|
[NAD]D:500 |
11 |
1 |
835 |
f |
[UGA]D:501 |
x,y,z |
1_555 |
7 |
1 |
685 |
69.1 |
-1.0 |
0.650 |
0 |
0 |
0 |
0.017 |
Average: |
69.6 |
-1.0 |
0.629 |
0 |
0 |
0 |
0.017 |
18 |
52 |
|
[CL]D:4001 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
19966 |
63.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.160 |
53 |
|
[CL]B:4002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20061 |
63.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.160 |
54 |
|
[CL]F:4003 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
20025 |
62.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.160 |
55 |
|
[CL]H:4004 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
20151 |
62.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
63.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.160 |
19 |
56 |
|
G |
5 |
1 |
20278 |
◊ |
H |
-y,x-y,z |
2_555 |
6 |
2 |
20151 |
50.5 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.001 |
57 |
|
D |
6 |
2 |
19966 |
◊ |
C |
-y+1,x-y,z |
2_655 |
5 |
1 |
20262 |
50.3 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.001 |
58 |
|
F |
5 |
1 |
20025 |
◊ |
E |
-y+1,x-y,z |
2_655 |
5 |
1 |
20146 |
49.0 |
-0.1 |
0.612 |
0 |
0 |
0 |
0.001 |
59 |
|
A |
5 |
1 |
20322 |
◊ |
B |
-y,x-y,z |
2_555 |
6 |
2 |
20061 |
48.3 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.001 |
Average: |
49.5 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.001 |
20 |
60 |
|
[UGA]F:501 |
6 |
1 |
683 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
20146 |
48.8 |
-0.3 |
0.606 |
2 |
0 |
0 |
0.020 |
61 |
|
[UGA]E:501 |
6 |
1 |
697 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
20025 |
48.7 |
-0.5 |
0.594 |
2 |
0 |
0 |
0.020 |
62 |
|
[UGA]C:501 |
6 |
1 |
694 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19966 |
48.5 |
-0.4 |
0.617 |
2 |
0 |
0 |
0.020 |
63 |
|
[UGA]G:501 |
6 |
1 |
693 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
20151 |
48.1 |
-0.4 |
0.610 |
2 |
0 |
0 |
0.020 |
64 |
|
[UGA]B:501 |
6 |
1 |
687 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20322 |
47.4 |
-0.4 |
0.616 |
2 |
0 |
0 |
0.020 |
65 |
|
[UGA]D:501 |
7 |
1 |
685 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20262 |
47.3 |
-0.4 |
0.640 |
2 |
0 |
0 |
0.020 |
66 |
|
[UGA]A:501 |
6 |
1 |
696 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20061 |
47.2 |
-0.5 |
0.607 |
2 |
0 |
0 |
0.020 |
67 |
|
[UGA]H:501 |
7 |
1 |
686 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
20278 |
46.9 |
-0.3 |
0.645 |
2 |
0 |
0 |
0.020 |
Average: |
47.9 |
-0.4 |
0.617 |
2 |
0 |
0 |
0.020 |
|