## |
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 |
101 |
11 |
4312 |
◊ |
A |
x,y,z |
1_555 |
118 |
36 |
17656 |
966.5 |
-17.2 |
0.396 |
20 |
0 |
0 |
0.542 |
2 |
|
G |
103 |
11 |
4240 |
◊ |
F |
x,y,z |
1_555 |
113 |
36 |
17537 |
944.3 |
-18.9 |
0.384 |
19 |
0 |
0 |
0.542 |
Average: |
955.4 |
-18.0 |
0.390 |
20 |
0 |
0 |
0.542 |
2 |
3 |
|
F |
69 |
23 |
17537 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
74 |
25 |
17537 |
654.8 |
-5.0 |
0.421 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
69 |
24 |
17656 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
72 |
23 |
17656 |
644.0 |
-2.6 |
0.554 |
5 |
2 |
0 |
0.000 |
Average: |
649.4 |
-3.8 |
0.487 |
5 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
61 |
15 |
4083 |
◊ |
B |
x,y,z |
1_555 |
67 |
15 |
4312 |
653.2 |
-10.1 |
0.601 |
47 |
0 |
0 |
1.000 |
4 |
6 |
|
H |
62 |
16 |
3767 |
◊ |
G |
x,y,z |
1_555 |
65 |
15 |
4240 |
646.3 |
-10.0 |
0.654 |
44 |
0 |
0 |
1.000 |
5 |
7 |
|
C |
67 |
9 |
4083 |
◊ |
A |
x,y,z |
1_555 |
69 |
24 |
17656 |
558.7 |
-13.5 |
0.342 |
16 |
0 |
0 |
0.445 |
6 |
8 |
|
H |
65 |
9 |
3767 |
◊ |
F |
x,y,z |
1_555 |
65 |
25 |
17537 |
550.0 |
-13.3 |
0.398 |
15 |
0 |
0 |
0.438 |
7 |
9 |
|
C |
57 |
4 |
4083 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
63 |
19 |
17537 |
545.2 |
2.8 |
0.894 |
10 |
0 |
0 |
0.000 |
8 |
10 |
|
[TTP]A:900 |
27 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
17656 |
276.6 |
-1.3 |
0.602 |
9 |
0 |
0 |
0.115 |
11 |
|
[TTP]F:900 |
27 |
1 |
545 |
f |
F |
x,y,z |
1_555 |
49 |
19 |
17537 |
270.9 |
-0.8 |
0.640 |
10 |
0 |
0 |
0.115 |
Average: |
273.8 |
-1.0 |
0.621 |
10 |
0 |
0 |
0.115 |
9 |
12 |
|
F |
33 |
8 |
17537 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
17656 |
225.8 |
0.8 |
0.740 |
2 |
4 |
0 |
0.000 |
10 |
13 |
|
H |
23 |
2 |
3767 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
6 |
17656 |
200.3 |
-1.1 |
0.553 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
F |
19 |
7 |
17537 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
8 |
17656 |
185.2 |
-0.2 |
0.627 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
21 |
4 |
4083 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
23 |
7 |
17656 |
173.3 |
-4.8 |
0.312 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
H |
26 |
5 |
3767 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
16 |
5 |
17537 |
170.6 |
-4.2 |
0.216 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
23 |
5 |
4312 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
7 |
17537 |
162.7 |
-2.1 |
0.589 |
3 |
0 |
0 |
0.000 |
15 |
18 |
|
G |
16 |
3 |
4240 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
7 |
17537 |
155.8 |
-3.9 |
0.392 |
5 |
0 |
0 |
0.000 |
16 |
19 |
|
G |
12 |
4 |
4240 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17656 |
122.5 |
-4.0 |
0.216 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
14 |
2 |
4083 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
3 |
4240 |
105.9 |
-0.4 |
0.630 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
[TTP]F:900 |
16 |
1 |
545 |
◊ |
H |
x,y,z |
1_555 |
14 |
1 |
3767 |
104.5 |
0.6 |
0.680 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[TTP]A:900 |
16 |
1 |
547 |
◊ |
C |
x,y,z |
1_555 |
13 |
1 |
4083 |
103.1 |
0.7 |
0.684 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
H |
10 |
3 |
3767 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17656 |
92.1 |
-1.7 |
0.512 |
3 |
0 |
0 |
0.000 |
21 |
24 |
|
A |
7 |
2 |
17656 |
x |
A |
x,y-1,z |
1_545 |
7 |
3 |
17656 |
62.6 |
-1.2 |
0.307 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
3 |
1 |
17537 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17537 |
37.1 |
-0.4 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
-0.8 |
0.329 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
7 |
1 |
4312 |
x |
B |
x,y-1,z |
1_545 |
11 |
2 |
4312 |
61.5 |
-1.8 |
0.431 |
0 |
0 |
0 |
0.000 |
27 |
|
G |
8 |
2 |
4240 |
x |
G |
x,y-1,z |
1_545 |
5 |
2 |
4240 |
57.1 |
-0.9 |
0.504 |
1 |
0 |
0 |
0.000 |
Average: |
59.3 |
-1.3 |
0.468 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[TTP]A:900 |
6 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4312 |
60.6 |
1.3 |
0.737 |
2 |
0 |
0 |
0.000 |
29 |
|
[TTP]F:900 |
6 |
1 |
545 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4240 |
60.2 |
1.3 |
0.727 |
2 |
0 |
0 |
0.000 |
Average: |
60.4 |
1.3 |
0.732 |
2 |
0 |
0 |
0.000 |
24 |
30 |
|
F |
8 |
3 |
17537 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
4312 |
55.4 |
1.2 |
0.760 |
2 |
0 |
0 |
0.000 |
25 |
31 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
5 |
1 |
547 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
32 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
6 |
1 |
545 |
30.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
30.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
33 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
17537 |
30.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.096 |
34 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
17656 |
29.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
29.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.096 |
27 |
35 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17537 |
28.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.096 |
36 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17656 |
28.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
28.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
37 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
5 |
1 |
547 |
24.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.069 |
38 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
5 |
1 |
545 |
23.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
23.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.069 |
29 |
39 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
3767 |
22.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.051 |
30 |
40 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
4083 |
20.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.040 |
31 |
41 |
|
F |
2 |
1 |
17537 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
17656 |
12.7 |
0.6 |
0.851 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
33 |
43 |
|
C |
1 |
1 |
4083 |
◊ |
[TTP]F:900 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
545 |
11.4 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.048 |
35 |
45 |
|
C |
1 |
1 |
4083 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
3767 |
9.2 |
-1.0 |
0.182 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
F |
1 |
1 |
17537 |
x |
F |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
17537 |
6.8 |
0.4 |
0.836 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
3767 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
38 |
48 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4083 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|