## |
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 |
|
B |
92 |
10 |
4088 |
◊ |
A |
x,y,z |
1_555 |
112 |
35 |
17615 |
906.7 |
-15.5 |
0.376 |
21 |
0 |
0 |
0.512 |
2 |
|
G |
101 |
10 |
4074 |
◊ |
F |
x,y,z |
1_555 |
106 |
34 |
17427 |
878.7 |
-15.2 |
0.469 |
18 |
0 |
0 |
0.512 |
Average: |
892.7 |
-15.3 |
0.422 |
20 |
0 |
0 |
0.512 |
2 |
3 |
|
C |
62 |
15 |
4049 |
◊ |
B |
x,y,z |
1_555 |
65 |
15 |
4088 |
651.6 |
-9.8 |
0.596 |
44 |
0 |
0 |
1.000 |
3 |
4 |
|
F |
67 |
23 |
17427 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
74 |
24 |
17427 |
644.8 |
-2.9 |
0.556 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
65 |
23 |
17615 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
68 |
22 |
17615 |
628.4 |
-3.2 |
0.495 |
4 |
2 |
0 |
0.000 |
Average: |
636.6 |
-3.1 |
0.526 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
H |
59 |
14 |
3300 |
◊ |
G |
x,y,z |
1_555 |
66 |
15 |
4074 |
643.9 |
-10.7 |
0.581 |
45 |
0 |
0 |
1.000 |
5 |
7 |
|
H |
70 |
9 |
3300 |
◊ |
F |
x,y,z |
1_555 |
74 |
26 |
17427 |
568.6 |
-12.5 |
0.410 |
16 |
0 |
0 |
0.430 |
6 |
8 |
|
C |
69 |
9 |
4049 |
◊ |
A |
x,y,z |
1_555 |
71 |
26 |
17615 |
566.9 |
-12.6 |
0.381 |
15 |
0 |
0 |
0.433 |
7 |
9 |
|
C |
55 |
4 |
4049 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
67 |
19 |
17427 |
530.6 |
-1.0 |
0.782 |
8 |
0 |
0 |
0.073 |
8 |
10 |
|
[TTP]A:900 |
27 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
17615 |
276.1 |
-1.4 |
0.604 |
8 |
0 |
0 |
0.122 |
11 |
|
[TTP]F:900 |
27 |
1 |
546 |
f |
F |
x,y,z |
1_555 |
49 |
19 |
17427 |
269.0 |
-1.1 |
0.629 |
10 |
0 |
0 |
0.122 |
Average: |
272.6 |
-1.2 |
0.616 |
9 |
0 |
0 |
0.122 |
9 |
12 |
|
F |
29 |
7 |
17427 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
17615 |
227.1 |
-0.1 |
0.603 |
3 |
3 |
0 |
0.000 |
10 |
13 |
|
F |
19 |
7 |
17427 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
8 |
17615 |
185.5 |
-0.3 |
0.618 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
H |
25 |
4 |
3300 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
23 |
8 |
17427 |
176.6 |
-4.7 |
0.389 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
21 |
5 |
4049 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
23 |
8 |
17615 |
173.8 |
-4.9 |
0.283 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
G |
15 |
3 |
4074 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
7 |
17427 |
158.0 |
-4.2 |
0.346 |
6 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
21 |
4 |
4088 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
5 |
17427 |
155.5 |
-2.6 |
0.532 |
4 |
0 |
0 |
0.070 |
15 |
18 |
|
C |
18 |
2 |
4049 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
4 |
4074 |
145.4 |
1.7 |
0.788 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
G |
14 |
4 |
4074 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17615 |
111.6 |
-2.8 |
0.416 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[TTP]F:900 |
16 |
1 |
546 |
◊ |
H |
x,y,z |
1_555 |
14 |
1 |
3300 |
104.9 |
0.7 |
0.693 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[TTP]A:900 |
16 |
1 |
541 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
4049 |
103.3 |
0.7 |
0.685 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
H |
10 |
3 |
3300 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17615 |
91.8 |
-1.8 |
0.481 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
4 |
1 |
17615 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
17615 |
69.8 |
-2.0 |
0.097 |
0 |
0 |
0 |
0.000 |
24 |
|
F |
4 |
1 |
17427 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17427 |
38.3 |
-0.4 |
0.399 |
0 |
0 |
0 |
0.000 |
Average: |
54.1 |
-1.2 |
0.248 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[TTP]A:900 |
6 |
1 |
541 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4088 |
59.9 |
1.3 |
0.731 |
2 |
0 |
0 |
0.000 |
26 |
|
[TTP]F:900 |
6 |
1 |
546 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4074 |
59.2 |
1.3 |
0.721 |
2 |
0 |
0 |
0.000 |
Average: |
59.6 |
1.3 |
0.726 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
F |
8 |
3 |
17427 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
4088 |
54.2 |
1.7 |
0.816 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
5 |
1 |
541 |
30.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.102 |
29 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
5 |
1 |
546 |
29.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
30.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.102 |
24 |
30 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
17427 |
29.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17615 |
29.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
29.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
32 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17615 |
29.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.115 |
33 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17427 |
28.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
29.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.115 |
26 |
34 |
|
G |
5 |
1 |
4074 |
x |
G |
x,y-1,z |
1_545 |
5 |
1 |
4074 |
27.8 |
-1.0 |
0.456 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
1 |
1 |
4088 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
4088 |
0.8 |
-0.0 |
0.377 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
-0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
4 |
1 |
546 |
23.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
37 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
4 |
1 |
541 |
20.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
22.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
38 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3300 |
21.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
29 |
39 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4049 |
19.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.040 |
30 |
40 |
|
F |
2 |
1 |
17427 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17615 |
13.4 |
-0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.052 |
32 |
42 |
|
C |
1 |
1 |
4049 |
◊ |
[TTP]F:900 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
546 |
11.7 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.008 |
33 |
43 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
44 |
|
C |
1 |
1 |
4049 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
3300 |
9.9 |
-1.1 |
0.174 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
B |
1 |
1 |
4088 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
17615 |
7.4 |
-0.5 |
0.230 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3300 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
37 |
47 |
|
F |
1 |
1 |
17427 |
x |
F |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
17427 |
2.5 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4049 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
|