| ## |
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 |
226 |
56 |
19113 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
225 |
57 |
19131 |
2251.4 |
-24.8 |
0.040 |
26 |
2 |
0 |
1.000 |
2 |
|
G |
229 |
56 |
19253 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
226 |
57 |
19262 |
2232.5 |
-25.4 |
0.032 |
24 |
2 |
0 |
1.000 |
3 |
|
H |
227 |
56 |
19100 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
233 |
57 |
19003 |
2231.3 |
-25.8 |
0.032 |
23 |
2 |
0 |
1.000 |
4 |
|
I |
228 |
57 |
19226 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
227 |
57 |
19172 |
2228.6 |
-24.6 |
0.038 |
24 |
3 |
0 |
1.000 |
5 |
|
J |
230 |
56 |
19143 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
229 |
56 |
19192 |
2227.7 |
-27.0 |
0.021 |
24 |
4 |
0 |
1.000 |
| Average: |
2234.3 |
-25.5 |
0.033 |
24 |
3 |
0 |
1.000 |
| 2 |
6 |
|
J |
85 |
25 |
19143 |
◊ |
F |
x,y,z |
1_555 |
91 |
28 |
19113 |
847.8 |
-9.4 |
0.143 |
5 |
4 |
0 |
0.622 |
7 |
|
C |
89 |
27 |
19262 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
19172 |
844.3 |
-10.6 |
0.088 |
4 |
4 |
0 |
0.622 |
8 |
|
I |
83 |
25 |
19226 |
◊ |
H |
x,y,z |
1_555 |
93 |
28 |
19100 |
835.2 |
-10.2 |
0.106 |
6 |
4 |
0 |
0.622 |
9 |
|
J |
90 |
25 |
19143 |
◊ |
H |
x,y,z |
1_555 |
84 |
24 |
19100 |
834.6 |
-9.9 |
0.112 |
5 |
3 |
0 |
0.622 |
10 |
|
E |
87 |
27 |
19003 |
◊ |
D |
x,y,z |
1_555 |
83 |
24 |
19192 |
833.8 |
-10.4 |
0.095 |
4 |
4 |
0 |
0.622 |
11 |
|
I |
89 |
26 |
19226 |
◊ |
G |
x,y,z |
1_555 |
85 |
25 |
19253 |
833.2 |
-9.9 |
0.113 |
6 |
3 |
0 |
0.622 |
12 |
|
C |
83 |
24 |
19262 |
◊ |
B |
x,y,z |
1_555 |
90 |
27 |
19131 |
825.5 |
-10.3 |
0.099 |
4 |
4 |
0 |
0.622 |
13 |
|
G |
88 |
25 |
19253 |
◊ |
F |
x,y,z |
1_555 |
81 |
23 |
19113 |
823.8 |
-10.6 |
0.088 |
4 |
4 |
0 |
0.622 |
14 |
|
D |
89 |
26 |
19192 |
◊ |
B |
x,y,z |
1_555 |
84 |
24 |
19131 |
817.9 |
-10.5 |
0.095 |
5 |
4 |
0 |
0.622 |
15 |
|
E |
82 |
24 |
19003 |
◊ |
A |
x,y,z |
1_555 |
89 |
26 |
19172 |
807.5 |
-10.4 |
0.093 |
6 |
4 |
0 |
0.622 |
| Average: |
830.4 |
-10.2 |
0.103 |
5 |
4 |
0 |
0.622 |
| 3 |
16 |
|
G |
52 |
18 |
19253 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
46 |
12 |
19100 |
437.4 |
0.6 |
0.761 |
8 |
1 |
0 |
0.000 |
17 |
|
C |
45 |
16 |
19262 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
49 |
12 |
19192 |
417.3 |
-0.1 |
0.675 |
7 |
1 |
0 |
0.000 |
| Average: |
427.3 |
0.3 |
0.718 |
8 |
1 |
0 |
0.000 |
| 4 |
18 |
|
H |
38 |
10 |
19100 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
37 |
10 |
19172 |
373.4 |
-0.3 |
0.658 |
4 |
0 |
0 |
0.027 |
19 |
|
I |
36 |
10 |
19226 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
38 |
10 |
19262 |
370.5 |
-0.4 |
0.640 |
4 |
0 |
0 |
0.027 |
20 |
|
J |
37 |
10 |
19143 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
37 |
10 |
19003 |
370.1 |
-0.3 |
0.651 |
4 |
0 |
0 |
0.027 |
21 |
|
F |
34 |
10 |
19113 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
36 |
10 |
19192 |
368.7 |
-0.3 |
0.652 |
4 |
0 |
0 |
0.027 |
22 |
|
G |
37 |
10 |
19253 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
38 |
10 |
19131 |
367.8 |
-0.4 |
0.649 |
5 |
0 |
0 |
0.027 |
| Average: |
370.1 |
-0.4 |
0.650 |
4 |
0 |
0 |
0.027 |
| 5 |
23 |
|
F |
37 |
12 |
19113 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
39 |
12 |
19262 |
295.1 |
4.1 |
0.935 |
7 |
4 |
0 |
0.000 |
| 6 |
24 |
|
H |
31 |
9 |
19100 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
34 |
10 |
19192 |
254.9 |
0.6 |
0.744 |
2 |
0 |
0 |
0.001 |
| 7 |
25 |
|
G |
32 |
11 |
19253 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
29 |
10 |
19172 |
243.5 |
2.1 |
0.853 |
1 |
3 |
0 |
0.000 |
| 8 |
26 |
|
I |
19 |
7 |
19226 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
19003 |
159.9 |
1.6 |
0.826 |
2 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[GOL]C:501 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
27 |
13 |
19262 |
148.0 |
-0.3 |
0.561 |
3 |
0 |
0 |
0.025 |
| 10 |
28 |
|
[GOL]E:501 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
26 |
12 |
19003 |
146.6 |
-0.5 |
0.585 |
5 |
0 |
0 |
0.046 |
| 11 |
29 |
|
[GOL]H:501 |
6 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
25 |
13 |
19100 |
145.7 |
-0.5 |
0.577 |
5 |
0 |
0 |
0.046 |
30 |
|
[GOL]G:501 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
26 |
13 |
19253 |
145.0 |
-0.6 |
0.583 |
4 |
0 |
0 |
0.046 |
| Average: |
145.3 |
-0.6 |
0.580 |
5 |
0 |
0 |
0.046 |
| 12 |
31 |
|
H |
13 |
6 |
19100 |
◊ |
A |
x-1,y,z-1 |
1_454 |
16 |
4 |
19172 |
118.5 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
F |
14 |
5 |
19113 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
9 |
19192 |
117.7 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
J |
14 |
7 |
19143 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
6 |
19131 |
103.5 |
1.4 |
0.807 |
0 |
0 |
0 |
0.000 |
| 15 |
34 |
|
F |
14 |
5 |
19113 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
13 |
8 |
19143 |
87.9 |
-0.8 |
0.474 |
1 |
0 |
0 |
0.000 |
35 |
|
A |
7 |
3 |
19172 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
19003 |
70.6 |
-0.3 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
79.3 |
-0.6 |
0.503 |
1 |
0 |
0 |
0.000 |
| 16 |
36 |
|
[GOL]H:502 |
5 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
19100 |
82.1 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
| 17 |
37 |
|
G |
13 |
5 |
19253 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
8 |
4 |
19003 |
79.0 |
0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
| 18 |
38 |
|
C |
8 |
2 |
19262 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
19131 |
67.1 |
0.4 |
0.685 |
1 |
0 |
0 |
0.000 |
39 |
|
G |
11 |
3 |
19253 |
◊ |
I |
-x,y-1/2,-z-1 |
2_544 |
6 |
2 |
19226 |
46.3 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
56.7 |
0.3 |
0.668 |
1 |
0 |
0 |
0.000 |
| 19 |
40 |
|
[CO]J:501 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
5 |
19143 |
62.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.144 |
41 |
|
[CO]F:501 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
19113 |
61.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.144 |
42 |
|
[CO]F:502 |
1 |
1 |
125 |
f |
C |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
19262 |
59.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
61.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.144 |
| 20 |
43 |
|
[GOL]C:502 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
19131 |
60.7 |
-0.5 |
0.558 |
1 |
0 |
0 |
0.019 |
| 21 |
44 |
|
[CO]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
19262 |
60.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.241 |
45 |
|
[CO]G:502 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
19253 |
53.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.241 |
| Average: |
57.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.241 |
| 22 |
46 |
|
[CO]E:502 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
19003 |
54.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.114 |
| 23 |
47 |
|
[CO]H:504 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
19100 |
53.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| 24 |
48 |
|
F |
4 |
1 |
19113 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
19172 |
52.5 |
0.6 |
0.751 |
0 |
0 |
0 |
0.000 |
| 25 |
49 |
|
[GOL]C:502 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19262 |
52.2 |
0.9 |
0.830 |
2 |
0 |
0 |
0.000 |
| 26 |
50 |
|
[CO]H:504 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
19192 |
52.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 27 |
51 |
|
[CO]C:504 |
1 |
1 |
125 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
19131 |
51.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.117 |
| 28 |
52 |
|
[CO]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
19192 |
48.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.114 |
| 29 |
53 |
|
I |
7 |
3 |
19226 |
◊ |
[CO]E:502 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
44.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 30 |
54 |
|
[CO]C:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19262 |
44.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
55 |
|
[CO]G:502 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
19172 |
35.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.030 |
56 |
|
[CO]F:501 |
1 |
1 |
125 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
19262 |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
34.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| 32 |
57 |
|
[CO]H:503 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
19100 |
34.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.063 |
58 |
|
[CO]F:503 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
19253 |
30.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
32.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
| 33 |
59 |
|
[CO]F:503 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
19113 |
31.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.054 |
60 |
|
[CO]H:503 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
19226 |
29.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
30.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 34 |
61 |
|
[CO]J:501 |
1 |
1 |
125 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
19131 |
22.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
| 35 |
62 |
|
G |
1 |
1 |
19253 |
◊ |
[GOL]H:502 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
219 |
21.1 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| 36 |
63 |
|
[CO]F:502 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
19113 |
19.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 37 |
64 |
|
F |
1 |
1 |
19113 |
◊ |
[CO]C:503 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
65 |
|
C |
1 |
1 |
19262 |
◊ |
[CO]D:501 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
66 |
|
H |
2 |
1 |
19100 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
19003 |
4.6 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 40 |
67 |
|
J |
1 |
1 |
19143 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19262 |
0.8 |
0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
|