## |
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 |
259 |
59 |
14148 |
◊ |
B |
x,y,z |
1_555 |
260 |
59 |
14077 |
2320.2 |
-33.0 |
0.088 |
27 |
22 |
0 |
0.181 |
2 |
|
H |
258 |
59 |
14128 |
◊ |
F |
x,y,z |
1_555 |
263 |
60 |
14098 |
2316.3 |
-32.5 |
0.092 |
28 |
22 |
0 |
0.181 |
Average: |
2318.3 |
-32.7 |
0.090 |
28 |
22 |
0 |
0.181 |
2 |
3 |
|
F |
191 |
52 |
14098 |
◊ |
G |
x,y,z |
1_555 |
187 |
54 |
16844 |
1760.7 |
-17.5 |
0.201 |
26 |
5 |
0 |
0.192 |
4 |
|
B |
190 |
51 |
14077 |
◊ |
C |
x,y,z |
1_555 |
183 |
53 |
16762 |
1757.9 |
-17.3 |
0.193 |
25 |
4 |
0 |
0.192 |
5 |
|
H |
191 |
51 |
14128 |
◊ |
E |
x,y,z |
1_555 |
188 |
54 |
16760 |
1754.6 |
-17.4 |
0.190 |
25 |
5 |
0 |
0.192 |
6 |
|
D |
191 |
51 |
14148 |
◊ |
A |
x,y,z |
1_555 |
184 |
53 |
16942 |
1754.5 |
-17.2 |
0.227 |
25 |
4 |
0 |
0.192 |
Average: |
1756.9 |
-17.3 |
0.203 |
25 |
5 |
0 |
0.192 |
3 |
7 |
|
F |
170 |
52 |
14098 |
◊ |
E |
x,y,z |
1_555 |
169 |
45 |
16760 |
1628.3 |
-22.7 |
0.043 |
14 |
6 |
0 |
0.205 |
8 |
|
B |
168 |
52 |
14077 |
◊ |
A |
x,y,z |
1_555 |
170 |
46 |
16942 |
1626.8 |
-24.1 |
0.033 |
17 |
6 |
0 |
0.205 |
9 |
|
H |
173 |
53 |
14128 |
◊ |
G |
x,y,z |
1_555 |
176 |
46 |
16844 |
1625.9 |
-24.0 |
0.038 |
17 |
6 |
0 |
0.205 |
10 |
|
D |
171 |
52 |
14148 |
◊ |
C |
x,y,z |
1_555 |
173 |
45 |
16762 |
1621.3 |
-24.1 |
0.035 |
14 |
6 |
0 |
0.205 |
Average: |
1625.6 |
-23.7 |
0.037 |
16 |
6 |
0 |
0.205 |
4 |
11 |
|
C |
82 |
19 |
16762 |
◊ |
A |
x,y,z |
1_555 |
83 |
19 |
16942 |
664.5 |
-6.5 |
0.338 |
6 |
0 |
0 |
0.021 |
12 |
|
G |
82 |
19 |
16844 |
◊ |
E |
x,y,z |
1_555 |
81 |
19 |
16760 |
659.6 |
-6.4 |
0.327 |
6 |
0 |
0 |
0.021 |
Average: |
662.1 |
-6.4 |
0.333 |
6 |
0 |
0 |
0.021 |
5 |
13 |
|
C |
45 |
16 |
16762 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
49 |
16 |
16942 |
445.7 |
-3.1 |
0.414 |
2 |
3 |
0 |
0.000 |
14 |
|
G |
47 |
15 |
16844 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
48 |
17 |
16760 |
433.2 |
-2.8 |
0.395 |
3 |
4 |
0 |
0.000 |
Average: |
439.5 |
-3.0 |
0.404 |
3 |
4 |
0 |
0.000 |
6 |
15 |
|
D |
45 |
12 |
14148 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
12 |
16942 |
412.5 |
-0.5 |
0.683 |
8 |
3 |
0 |
0.000 |
16 |
|
G |
41 |
12 |
16844 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
41 |
12 |
14098 |
409.3 |
-0.8 |
0.618 |
5 |
3 |
0 |
0.000 |
Average: |
410.9 |
-0.7 |
0.651 |
7 |
3 |
0 |
0.000 |
7 |
17 |
|
[TPP]A:1005 |
25 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
16942 |
304.4 |
-2.9 |
0.581 |
10 |
0 |
0 |
0.055 |
18 |
|
[TPP]C:1002 |
25 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
47 |
20 |
16762 |
304.3 |
-3.4 |
0.582 |
10 |
0 |
0 |
0.055 |
19 |
|
[TPP]E:1011 |
25 |
1 |
602 |
f |
E |
x,y,z |
1_555 |
48 |
19 |
16760 |
303.8 |
-3.6 |
0.575 |
11 |
0 |
0 |
0.055 |
20 |
|
[TPP]G:1008 |
26 |
1 |
599 |
f |
G |
x,y,z |
1_555 |
47 |
19 |
16844 |
302.0 |
-3.0 |
0.603 |
12 |
0 |
0 |
0.055 |
Average: |
303.6 |
-3.2 |
0.585 |
11 |
0 |
0 |
0.055 |
8 |
21 |
|
B |
22 |
8 |
14077 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
16942 |
201.8 |
1.3 |
0.821 |
3 |
0 |
0 |
0.000 |
22 |
|
G |
20 |
7 |
16844 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
20 |
8 |
14128 |
153.5 |
-0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
177.7 |
0.6 |
0.709 |
2 |
0 |
0 |
0.000 |
9 |
23 |
|
[TPP]E:1011 |
19 |
1 |
602 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
14128 |
177.8 |
0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
24 |
|
[TPP]G:1008 |
18 |
1 |
599 |
◊ |
F |
x,y,z |
1_555 |
26 |
8 |
14098 |
176.8 |
0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
25 |
|
[TPP]A:1005 |
18 |
1 |
602 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
14148 |
176.2 |
0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
26 |
|
[TPP]C:1002 |
18 |
1 |
599 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
14077 |
175.6 |
0.3 |
0.495 |
0 |
0 |
0 |
0.000 |
Average: |
176.6 |
0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
10 |
27 |
|
H |
13 |
4 |
14128 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
14148 |
128.0 |
1.3 |
0.714 |
2 |
1 |
0 |
0.000 |
11 |
28 |
|
F |
16 |
6 |
14098 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
19 |
8 |
16762 |
125.3 |
1.5 |
0.761 |
2 |
1 |
0 |
0.000 |
12 |
29 |
|
[K]F:1009 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
14098 |
118.6 |
-108.0 |
0.000 |
0 |
0 |
0 |
0.810 |
30 |
|
[K]B:1003 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
14077 |
118.1 |
-108.0 |
0.000 |
0 |
0 |
0 |
0.810 |
31 |
|
[K]H:1012 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
14128 |
117.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.810 |
32 |
|
[K]D:1006 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
14148 |
117.8 |
-107.9 |
0.000 |
0 |
0 |
0 |
0.810 |
Average: |
118.1 |
-108.0 |
0.000 |
0 |
0 |
0 |
0.810 |
13 |
33 |
|
[GOL]E:1103 |
6 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
16 |
4 |
16760 |
94.1 |
-0.5 |
0.506 |
1 |
0 |
0 |
0.006 |
34 |
|
[GOL]A:1101 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
16942 |
92.9 |
-0.6 |
0.523 |
1 |
0 |
0 |
0.006 |
Average: |
93.5 |
-0.6 |
0.515 |
1 |
0 |
0 |
0.006 |
14 |
35 |
|
[GOL]G:1104 |
6 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
22 |
5 |
16844 |
93.0 |
-0.6 |
0.557 |
1 |
0 |
0 |
0.006 |
15 |
36 |
|
[GOL]C:1102 |
6 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
16762 |
91.3 |
-0.4 |
0.561 |
2 |
0 |
0 |
0.008 |
16 |
37 |
|
G |
10 |
3 |
16844 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
9 |
4 |
16762 |
82.4 |
0.5 |
0.648 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
[GOL]A:1101 |
4 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
14077 |
69.8 |
-0.7 |
0.447 |
2 |
0 |
0 |
0.011 |
39 |
|
[GOL]E:1103 |
4 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
14098 |
69.2 |
-0.8 |
0.396 |
1 |
0 |
0 |
0.011 |
Average: |
69.5 |
-0.8 |
0.422 |
2 |
0 |
0 |
0.011 |
18 |
40 |
|
[GOL]C:1102 |
5 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
14148 |
68.9 |
-1.1 |
0.446 |
1 |
0 |
0 |
0.010 |
19 |
41 |
|
[GOL]G:1104 |
4 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
14128 |
68.7 |
-0.9 |
0.491 |
1 |
0 |
0 |
0.008 |
20 |
42 |
|
H |
7 |
4 |
14128 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
16762 |
67.0 |
-0.0 |
0.606 |
1 |
0 |
0 |
0.000 |
21 |
43 |
|
F |
10 |
4 |
14098 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
14077 |
66.1 |
-0.9 |
0.320 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
[MN]G:1007 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
11 |
9 |
16844 |
50.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
45 |
|
[MN]A:1004 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
9 |
16942 |
50.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
46 |
|
[MN]C:1001 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
10 |
16762 |
50.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
|
[MN]E:1010 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
11 |
8 |
16760 |
50.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
50.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
48 |
|
E |
5 |
3 |
16760 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
14148 |
46.5 |
-0.5 |
0.498 |
0 |
0 |
0 |
0.000 |
24 |
49 |
|
[TPP]C:1002 |
5 |
1 |
599 |
f |
[MN]C:1001 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
50 |
|
[TPP]E:1011 |
5 |
1 |
602 |
f |
[MN]E:1010 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
51 |
|
[TPP]G:1008 |
5 |
1 |
599 |
f |
[MN]G:1007 |
x,y,z |
1_555 |
1 |
1 |
123 |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
52 |
|
[TPP]A:1005 |
5 |
1 |
602 |
f |
[MN]A:1004 |
x,y,z |
1_555 |
1 |
1 |
123 |
37.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
38.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
25 |
53 |
|
E |
5 |
3 |
16760 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
14077 |
33.6 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
G |
2 |
2 |
16844 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
16762 |
9.8 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
E |
3 |
3 |
16760 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
3 |
16942 |
6.4 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
|