| ## |
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 |
|
F |
228 |
47 |
10302 |
◊ |
D |
x,y,z |
1_555 |
217 |
55 |
15520 |
2154.3 |
-39.2 |
0.004 |
12 |
9 |
0 |
1.000 |
| 2 |
2 |
|
D |
176 |
43 |
15520 |
◊ |
A |
x,y,z |
1_555 |
179 |
45 |
19248 |
1649.4 |
-7.8 |
0.323 |
22 |
18 |
0 |
0.458 |
| 3 |
3 |
|
H |
117 |
28 |
7833 |
◊ |
B |
x,y,z |
1_555 |
113 |
35 |
18356 |
1192.3 |
-8.2 |
0.219 |
9 |
8 |
0 |
0.363 |
| 4 |
4 |
|
F |
124 |
32 |
10302 |
◊ |
C |
x,y,z |
1_555 |
115 |
39 |
14550 |
1135.4 |
-6.6 |
0.474 |
11 |
4 |
0 |
0.392 |
| 5 |
5 |
|
G |
101 |
26 |
8927 |
◊ |
F |
x,y,z |
1_555 |
110 |
30 |
10302 |
931.1 |
-11.1 |
0.236 |
9 |
0 |
0 |
1.000 |
| 6 |
6 |
|
E |
89 |
19 |
9240 |
◊ |
A |
x,y,z |
1_555 |
96 |
25 |
19248 |
920.7 |
-9.2 |
0.231 |
12 |
5 |
0 |
0.390 |
| 7 |
7 |
|
B |
80 |
24 |
18356 |
◊ |
A |
x,y,z |
1_555 |
93 |
31 |
19248 |
820.7 |
-6.7 |
0.271 |
7 |
0 |
0 |
0.091 |
| 8 |
8 |
|
F |
74 |
20 |
10302 |
◊ |
B |
x,y,z |
1_555 |
80 |
25 |
18356 |
782.3 |
-4.2 |
0.372 |
15 |
5 |
0 |
0.136 |
| 9 |
9 |
|
G |
66 |
22 |
8927 |
◊ |
C |
x,y,z |
1_555 |
72 |
22 |
14550 |
672.1 |
-4.0 |
0.389 |
8 |
0 |
0 |
0.244 |
| 10 |
10 |
|
G |
48 |
10 |
8927 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
18356 |
501.5 |
-4.8 |
0.249 |
5 |
4 |
0 |
0.090 |
| 11 |
11 |
|
G |
63 |
17 |
8927 |
◊ |
C |
-y,x-y-1,z-1/3 |
3_544 |
54 |
17 |
14550 |
477.8 |
-2.5 |
0.490 |
4 |
3 |
0 |
0.000 |
| 12 |
12 |
|
[ATP]A:502 |
31 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
70 |
24 |
19248 |
456.4 |
-3.5 |
0.526 |
17 |
0 |
0 |
0.280 |
| 13 |
13 |
|
[ATP]B:502 |
30 |
1 |
630 |
f |
B |
x,y,z |
1_555 |
75 |
27 |
18356 |
446.4 |
-3.6 |
0.489 |
16 |
0 |
0 |
0.289 |
| 14 |
14 |
|
F |
41 |
12 |
10302 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
19248 |
418.0 |
-2.8 |
0.487 |
6 |
11 |
0 |
0.076 |
| 15 |
15 |
|
H |
41 |
11 |
7833 |
◊ |
C |
x,y,z |
1_555 |
47 |
10 |
14550 |
396.3 |
1.3 |
0.691 |
7 |
0 |
0 |
0.021 |
| 16 |
16 |
|
G |
35 |
8 |
8927 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
39 |
9 |
19248 |
317.1 |
-1.4 |
0.544 |
4 |
1 |
0 |
0.000 |
| 17 |
17 |
|
H |
21 |
5 |
7833 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
25 |
8 |
19248 |
213.4 |
1.6 |
0.774 |
1 |
3 |
0 |
0.000 |
| 18 |
18 |
|
C |
26 |
13 |
14550 |
◊ |
H |
-y,x-y-1,z+2/3 |
3_545 |
21 |
8 |
7833 |
212.2 |
0.4 |
0.596 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
C |
18 |
7 |
14550 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
18356 |
201.0 |
1.9 |
0.785 |
3 |
3 |
0 |
0.000 |
| 20 |
20 |
|
D |
25 |
8 |
15520 |
◊ |
G |
x-y-1,x-1,z-1/6 |
2_444 |
22 |
9 |
8927 |
193.1 |
1.2 |
0.768 |
2 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[PG4]B:503 |
12 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
18356 |
182.8 |
4.2 |
0.379 |
1 |
0 |
0 |
0.000 |
| 22 |
22 |
|
C |
15 |
6 |
14550 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
15 |
5 |
19248 |
157.4 |
1.6 |
0.733 |
1 |
1 |
0 |
0.000 |
| 23 |
23 |
|
B |
18 |
7 |
18356 |
◊ |
D |
-x,-y-1,z-1/2 |
4_544 |
16 |
7 |
15520 |
155.6 |
-0.1 |
0.594 |
0 |
1 |
0 |
0.000 |
| 24 |
24 |
|
[PG4]F:201 |
13 |
1 |
402 |
f |
F |
x,y,z |
1_555 |
19 |
6 |
10302 |
155.5 |
3.2 |
0.261 |
4 |
0 |
0 |
0.000 |
| 25 |
25 |
|
C |
16 |
4 |
14550 |
◊ |
E |
x-y,x,z-1/6 |
2_554 |
17 |
5 |
9240 |
152.0 |
-0.5 |
0.561 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
H |
18 |
7 |
7833 |
◊ |
D |
x-y,x,z-1/6 |
2_554 |
16 |
6 |
15520 |
148.0 |
1.8 |
0.758 |
2 |
1 |
0 |
0.000 |
| 27 |
27 |
|
C |
16 |
5 |
14550 |
◊ |
D |
x-y,x,z-1/6 |
2_554 |
21 |
6 |
15520 |
141.5 |
0.4 |
0.672 |
2 |
0 |
0 |
0.000 |
| 28 |
28 |
|
C |
13 |
7 |
14550 |
x |
C |
-y,x-y-1,z-1/3 |
3_544 |
16 |
4 |
14550 |
133.6 |
0.9 |
0.728 |
3 |
1 |
0 |
0.000 |
| 29 |
29 |
|
B |
11 |
4 |
18356 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
12 |
3 |
19248 |
112.7 |
-2.0 |
0.208 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[PG4]B:503 |
5 |
1 |
393 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
8927 |
87.2 |
2.5 |
0.424 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[PG4]F:201 |
5 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
19248 |
72.4 |
2.4 |
0.470 |
0 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19248 |
46.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.190 |
| 33 |
33 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18356 |
43.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.190 |
| 34 |
34 |
|
D |
6 |
2 |
15520 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14550 |
41.7 |
-1.2 |
0.197 |
0 |
0 |
0 |
0.008 |
| 35 |
35 |
|
B |
5 |
3 |
18356 |
◊ |
C |
-y,x-y-1,z-1/3 |
3_544 |
3 |
2 |
14550 |
35.9 |
-0.5 |
0.338 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
B |
3 |
1 |
18356 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
2 |
1 |
19248 |
31.9 |
0.8 |
0.876 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
G |
2 |
1 |
8927 |
◊ |
H |
-y,x-y-1,z+2/3 |
3_545 |
3 |
1 |
7833 |
29.5 |
1.4 |
0.928 |
0 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[ATP]B:502 |
5 |
1 |
630 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
29.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.158 |
39 |
|
[ATP]A:502 |
4 |
1 |
643 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
29.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.158 |
| 39 |
40 |
|
H |
4 |
2 |
7833 |
◊ |
C |
-y,x-y-1,z-1/3 |
3_544 |
2 |
1 |
14550 |
25.8 |
0.5 |
0.794 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
F |
2 |
1 |
10302 |
◊ |
H |
-y,x-y-1,z+2/3 |
3_545 |
2 |
1 |
7833 |
2.7 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
B |
2 |
1 |
18356 |
◊ |
F |
-x,-y-1,z-1/2 |
4_544 |
1 |
1 |
10302 |
2.3 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
|