## |
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 |
|
E |
92 |
19 |
3821 |
◊ |
A |
x,y,z |
1_555 |
108 |
28 |
7670 |
892.3 |
-10.5 |
0.301 |
10 |
1 |
0 |
0.776 |
2 |
|
H |
84 |
19 |
3734 |
◊ |
D |
x,y,z |
1_555 |
108 |
27 |
7821 |
856.1 |
-10.3 |
0.317 |
9 |
2 |
0 |
0.776 |
3 |
|
F |
77 |
18 |
3717 |
◊ |
B |
x,y,z |
1_555 |
101 |
29 |
6909 |
775.5 |
-11.2 |
0.211 |
9 |
0 |
0 |
0.776 |
4 |
|
G |
80 |
19 |
3769 |
◊ |
C |
x,y,z |
1_555 |
102 |
29 |
8208 |
773.0 |
-11.4 |
0.204 |
10 |
0 |
0 |
0.776 |
Average: |
824.2 |
-10.8 |
0.258 |
10 |
1 |
0 |
0.776 |
2 |
5 |
|
H |
47 |
11 |
3734 |
◊ |
C |
x,y,z |
1_555 |
58 |
17 |
8208 |
534.2 |
-2.2 |
0.628 |
13 |
4 |
0 |
0.274 |
6 |
|
E |
46 |
11 |
3821 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
6909 |
531.9 |
-2.0 |
0.620 |
11 |
5 |
0 |
0.274 |
7 |
|
G |
45 |
11 |
3769 |
◊ |
D |
x,y,z |
1_555 |
59 |
16 |
7821 |
527.2 |
-2.6 |
0.569 |
10 |
5 |
0 |
0.274 |
8 |
|
F |
45 |
11 |
3717 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
7670 |
523.0 |
-2.0 |
0.608 |
12 |
5 |
0 |
0.274 |
Average: |
529.1 |
-2.2 |
0.606 |
12 |
5 |
0 |
0.274 |
3 |
9 |
|
C |
55 |
12 |
8208 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
61 |
15 |
7821 |
524.6 |
-2.7 |
0.533 |
7 |
2 |
0 |
0.000 |
4 |
10 |
|
C |
41 |
9 |
8208 |
◊ |
B |
x,y,z |
1_555 |
40 |
9 |
6909 |
395.8 |
-1.8 |
0.550 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
A |
36 |
9 |
7670 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
36 |
9 |
6909 |
324.5 |
-2.0 |
0.519 |
2 |
2 |
0 |
0.000 |
6 |
12 |
|
D |
36 |
10 |
7821 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
8208 |
305.9 |
-0.3 |
0.650 |
3 |
4 |
0 |
0.049 |
13 |
|
B |
23 |
7 |
6909 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
7670 |
177.0 |
-2.6 |
0.358 |
0 |
1 |
0 |
0.049 |
Average: |
241.4 |
-1.5 |
0.504 |
2 |
3 |
0 |
0.049 |
7 |
14 |
|
H |
22 |
6 |
3734 |
◊ |
G |
x,y,z |
1_555 |
24 |
6 |
3769 |
202.2 |
0.5 |
0.818 |
2 |
4 |
0 |
0.014 |
15 |
|
F |
24 |
6 |
3717 |
◊ |
E |
x,y,z |
1_555 |
22 |
6 |
3821 |
186.3 |
2.3 |
0.917 |
2 |
5 |
0 |
0.014 |
Average: |
194.2 |
1.4 |
0.868 |
2 |
5 |
0 |
0.014 |
8 |
16 |
|
H |
24 |
6 |
3734 |
◊ |
E |
x,y,z |
1_555 |
22 |
6 |
3821 |
198.2 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
A |
22 |
7 |
7670 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
6909 |
179.8 |
-0.1 |
0.639 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
19 |
6 |
8208 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
6 |
6909 |
146.9 |
-1.4 |
0.473 |
1 |
0 |
0 |
0.000 |
Average: |
163.4 |
-0.8 |
0.556 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
A |
21 |
7 |
7670 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
7821 |
171.9 |
-0.4 |
0.607 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
21 |
7 |
8208 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
7821 |
168.8 |
-1.0 |
0.513 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
F |
17 |
4 |
3717 |
◊ |
G |
x,y,z-1 |
1_554 |
18 |
4 |
3769 |
165.2 |
-0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
E |
20 |
8 |
3821 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
6 |
7821 |
152.2 |
0.9 |
0.772 |
2 |
0 |
0 |
0.000 |
14 |
23 |
|
[DTT]C:1276 |
8 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
8208 |
127.2 |
-1.5 |
0.589 |
2 |
0 |
0 |
0.106 |
15 |
24 |
|
A |
12 |
4 |
7670 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
7821 |
101.5 |
-0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
F |
10 |
3 |
3717 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
10 |
2 |
6909 |
99.6 |
-2.3 |
0.238 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
11 |
3 |
3734 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
1 |
7821 |
91.3 |
-2.0 |
0.271 |
0 |
0 |
0 |
0.000 |
Average: |
95.4 |
-2.1 |
0.255 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[SCN]B:2 |
3 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
17 |
6 |
3717 |
94.3 |
-4.1 |
0.436 |
0 |
0 |
0 |
0.203 |
18 |
28 |
|
[SCN]A:3 |
3 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
3821 |
94.1 |
-3.9 |
0.444 |
0 |
0 |
0 |
0.202 |
19 |
29 |
|
[SCN]C:1 |
3 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
18 |
6 |
3769 |
93.7 |
-4.0 |
0.450 |
0 |
0 |
0 |
0.178 |
20 |
30 |
|
C |
10 |
2 |
8208 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
3821 |
93.4 |
-2.2 |
0.255 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
A |
9 |
2 |
7670 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
3769 |
91.9 |
-2.0 |
0.260 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
C |
10 |
4 |
8208 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7670 |
87.4 |
1.3 |
0.779 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
A |
11 |
3 |
7670 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
3 |
7821 |
87.1 |
-1.2 |
0.399 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[CL]H:4 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
3734 |
73.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.385 |
25 |
35 |
|
[DTT]C:1276 |
4 |
1 |
299 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7670 |
60.7 |
-0.6 |
0.470 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
E |
6 |
2 |
3821 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8208 |
59.2 |
0.3 |
0.609 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[SCN]A:3 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7670 |
57.4 |
-0.4 |
0.595 |
0 |
0 |
0 |
0.023 |
28 |
38 |
|
[SCN]B:2 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6909 |
56.8 |
-0.9 |
0.332 |
0 |
0 |
0 |
0.043 |
29 |
39 |
|
[SCN]C:1 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8208 |
55.6 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.011 |
30 |
40 |
|
D |
8 |
4 |
7821 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6909 |
53.6 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
H |
9 |
2 |
3734 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7670 |
52.8 |
0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
F |
5 |
2 |
3717 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
8208 |
47.4 |
1.7 |
0.901 |
3 |
0 |
0 |
0.000 |
33 |
43 |
|
B |
5 |
1 |
6909 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
2 |
3769 |
43.2 |
0.7 |
0.799 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[DTT]C:1276 |
4 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
3821 |
42.6 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
H |
3 |
1 |
3734 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6909 |
22.5 |
0.6 |
0.820 |
1 |
0 |
0 |
0.000 |
36 |
46 |
|
[CL]H:4 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7821 |
21.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.093 |
37 |
47 |
|
A |
1 |
1 |
7670 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
3717 |
16.5 |
0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
F |
3 |
1 |
3717 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
7821 |
14.5 |
0.4 |
0.797 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
A |
1 |
1 |
7670 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
3769 |
7.6 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
E |
1 |
1 |
3821 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7821 |
6.3 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
|