## |
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 |
|
C |
172 |
45 |
19322 |
◊ |
B |
x,y,z |
1_555 |
161 |
43 |
19086 |
1583.2 |
4.5 |
0.835 |
24 |
23 |
0 |
0.000 |
2 |
|
D |
175 |
45 |
18594 |
◊ |
C |
x,y,z |
1_555 |
160 |
44 |
19322 |
1562.9 |
3.6 |
0.774 |
22 |
23 |
0 |
0.000 |
3 |
|
B |
179 |
47 |
19086 |
◊ |
A |
x,y,z |
1_555 |
153 |
44 |
18880 |
1557.3 |
4.4 |
0.844 |
22 |
20 |
0 |
0.000 |
4 |
|
E |
164 |
43 |
16725 |
◊ |
D |
x,y,z |
1_555 |
163 |
43 |
18594 |
1528.6 |
4.6 |
0.862 |
23 |
19 |
0 |
0.000 |
5 |
|
F |
129 |
34 |
18519 |
◊ |
A |
x,y,z |
1_555 |
141 |
37 |
18880 |
1279.6 |
7.0 |
0.854 |
18 |
17 |
0 |
0.000 |
Average: |
1502.3 |
4.8 |
0.834 |
22 |
20 |
0 |
0.000 |
2 |
6 |
|
F |
120 |
31 |
18519 |
◊ |
E |
x,y,z |
1_555 |
113 |
32 |
16725 |
1046.5 |
1.9 |
0.784 |
15 |
10 |
0 |
0.000 |
3 |
7 |
|
[ADP]C:1000 |
27 |
1 |
553 |
f |
C |
x,y,z |
1_555 |
49 |
15 |
19322 |
316.4 |
-7.9 |
0.226 |
13 |
0 |
0 |
0.055 |
8 |
|
[ADP]D:1000 |
27 |
1 |
553 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
18594 |
313.9 |
-7.9 |
0.236 |
11 |
0 |
0 |
0.055 |
9 |
|
[ADP]A:1000 |
26 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
44 |
13 |
18880 |
310.8 |
-8.0 |
0.208 |
12 |
0 |
0 |
0.055 |
10 |
|
[ADP]B:1000 |
26 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
43 |
13 |
19086 |
310.8 |
-7.7 |
0.230 |
12 |
0 |
0 |
0.055 |
11 |
|
[ADP]E:1000 |
26 |
1 |
553 |
f |
E |
x,y,z |
1_555 |
39 |
14 |
16725 |
305.7 |
-7.8 |
0.239 |
11 |
0 |
0 |
0.055 |
12 |
|
[ADP]F:1000 |
27 |
1 |
554 |
f |
F |
x,y,z |
1_555 |
40 |
12 |
18519 |
300.7 |
-6.7 |
0.317 |
12 |
0 |
0 |
0.055 |
Average: |
309.7 |
-7.7 |
0.243 |
12 |
0 |
0 |
0.055 |
4 |
13 |
|
D |
34 |
15 |
18594 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
11 |
18519 |
273.3 |
5.7 |
0.923 |
5 |
5 |
0 |
0.000 |
5 |
14 |
|
B |
24 |
7 |
19086 |
◊ |
E |
x,y,z-1 |
1_554 |
41 |
14 |
16725 |
271.5 |
1.5 |
0.761 |
2 |
1 |
0 |
0.000 |
6 |
15 |
|
E |
22 |
7 |
16725 |
x |
E |
x-1,y,z |
1_455 |
25 |
7 |
16725 |
248.3 |
-4.1 |
0.079 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
B |
23 |
6 |
19086 |
x |
B |
x-1,y,z |
1_455 |
23 |
8 |
19086 |
230.3 |
-1.8 |
0.170 |
1 |
0 |
0 |
0.000 |
17 |
|
C |
20 |
5 |
19322 |
x |
C |
x-1,y,z |
1_455 |
19 |
6 |
19322 |
214.9 |
-1.8 |
0.112 |
1 |
1 |
0 |
0.000 |
18 |
|
D |
20 |
5 |
18594 |
x |
D |
x-1,y,z |
1_455 |
21 |
8 |
18594 |
209.4 |
-3.3 |
0.074 |
1 |
0 |
0 |
0.000 |
19 |
|
F |
21 |
6 |
18519 |
x |
F |
x-1,y,z |
1_455 |
28 |
10 |
18519 |
203.3 |
-1.3 |
0.439 |
2 |
2 |
0 |
0.000 |
20 |
|
A |
19 |
5 |
18880 |
x |
A |
x-1,y,z |
1_455 |
18 |
7 |
18880 |
193.0 |
-0.7 |
0.422 |
3 |
3 |
0 |
0.000 |
Average: |
210.2 |
-1.8 |
0.243 |
2 |
1 |
0 |
0.000 |
8 |
21 |
|
D |
27 |
10 |
18594 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
23 |
8 |
18519 |
221.7 |
0.8 |
0.670 |
2 |
0 |
0 |
0.000 |
9 |
22 |
|
G |
23 |
7 |
1652 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
19322 |
215.8 |
-2.9 |
0.547 |
4 |
0 |
0 |
0.000 |
10 |
23 |
|
G |
23 |
7 |
1652 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
19086 |
213.3 |
-2.5 |
0.577 |
4 |
0 |
0 |
0.000 |
11 |
24 |
|
G |
22 |
5 |
1652 |
◊ |
E |
x,y,z |
1_555 |
25 |
9 |
16725 |
196.4 |
-3.4 |
0.471 |
4 |
0 |
0 |
0.000 |
12 |
25 |
|
G |
19 |
4 |
1652 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
18594 |
176.1 |
-3.2 |
0.435 |
4 |
0 |
0 |
0.000 |
13 |
26 |
|
B |
17 |
6 |
19086 |
◊ |
D |
x,y,z-1 |
1_554 |
14 |
6 |
18594 |
158.9 |
1.8 |
0.808 |
2 |
1 |
0 |
0.000 |
14 |
27 |
|
G |
18 |
5 |
1652 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
18880 |
140.2 |
-2.9 |
0.433 |
3 |
0 |
0 |
0.000 |
15 |
28 |
|
[ADP]F:1000 |
13 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
18880 |
134.9 |
-1.6 |
0.608 |
3 |
0 |
0 |
0.000 |
16 |
29 |
|
C |
11 |
4 |
19322 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
18880 |
122.8 |
2.6 |
0.880 |
4 |
5 |
0 |
0.000 |
17 |
30 |
|
[ADP]A:1000 |
11 |
1 |
554 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
19086 |
106.3 |
-1.3 |
0.641 |
3 |
0 |
0 |
0.000 |
31 |
|
[ADP]B:1000 |
11 |
1 |
553 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
19322 |
104.2 |
-1.3 |
0.632 |
3 |
0 |
0 |
0.000 |
32 |
|
[ADP]C:1000 |
11 |
1 |
553 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
18594 |
95.7 |
-1.1 |
0.658 |
3 |
0 |
0 |
0.000 |
33 |
|
[ADP]D:1000 |
11 |
1 |
553 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
16725 |
95.1 |
-0.9 |
0.675 |
3 |
0 |
0 |
0.000 |
Average: |
100.3 |
-1.2 |
0.652 |
3 |
0 |
0 |
0.000 |
18 |
34 |
|
B |
12 |
4 |
19086 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
11 |
3 |
18519 |
104.8 |
-0.5 |
0.451 |
2 |
0 |
0 |
0.000 |
19 |
35 |
|
[BEF]E:1002 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
16725 |
95.3 |
1.4 |
0.597 |
5 |
0 |
0 |
0.003 |
36 |
|
[BEF]F:1002 |
4 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
18519 |
90.8 |
2.1 |
0.652 |
4 |
0 |
0 |
0.003 |
37 |
|
[BEF]D:1002 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
18594 |
88.4 |
2.6 |
0.702 |
4 |
0 |
0 |
0.003 |
38 |
|
[BEF]B:1002 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
19086 |
87.1 |
2.3 |
0.684 |
5 |
0 |
0 |
0.003 |
39 |
|
[BEF]C:1002 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
19322 |
83.0 |
2.2 |
0.660 |
3 |
0 |
0 |
0.003 |
40 |
|
[BEF]A:1002 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
18880 |
80.6 |
2.0 |
0.650 |
4 |
0 |
0 |
0.003 |
Average: |
87.5 |
2.1 |
0.658 |
4 |
0 |
0 |
0.003 |
20 |
41 |
|
[ADP]E:1000 |
8 |
1 |
553 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
18519 |
72.3 |
-0.3 |
0.677 |
1 |
0 |
0 |
0.000 |
21 |
42 |
|
C |
7 |
1 |
19322 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
18519 |
55.3 |
-0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
B |
7 |
3 |
19086 |
◊ |
E |
x-1,y,z-1 |
1_454 |
7 |
3 |
16725 |
53.7 |
0.6 |
0.652 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
G |
9 |
2 |
1652 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
18519 |
53.6 |
-0.7 |
0.591 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
A |
5 |
2 |
18880 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
2 |
16725 |
45.0 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[BEF]E:1002 |
4 |
1 |
182 |
f |
[ADP]E:1000 |
x,y,z |
1_555 |
5 |
1 |
553 |
43.2 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.008 |
47 |
|
[BEF]F:1002 |
4 |
1 |
181 |
f |
[ADP]F:1000 |
x,y,z |
1_555 |
5 |
1 |
554 |
41.1 |
-1.9 |
0.292 |
0 |
0 |
0 |
0.008 |
48 |
|
[BEF]D:1002 |
4 |
1 |
183 |
f |
[ADP]D:1000 |
x,y,z |
1_555 |
5 |
1 |
553 |
40.9 |
-2.0 |
0.296 |
0 |
0 |
0 |
0.008 |
49 |
|
[BEF]A:1002 |
4 |
1 |
182 |
f |
[ADP]A:1000 |
x,y,z |
1_555 |
5 |
1 |
554 |
40.6 |
-2.0 |
0.294 |
0 |
0 |
0 |
0.008 |
50 |
|
[BEF]C:1002 |
4 |
1 |
181 |
f |
[ADP]C:1000 |
x,y,z |
1_555 |
5 |
1 |
553 |
40.4 |
-2.0 |
0.290 |
0 |
0 |
0 |
0.008 |
51 |
|
[BEF]B:1002 |
4 |
1 |
182 |
f |
[ADP]B:1000 |
x,y,z |
1_555 |
5 |
1 |
553 |
40.2 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.008 |
Average: |
41.1 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.008 |
26 |
52 |
|
[MG]F:1001 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
18519 |
37.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.020 |
53 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
16725 |
36.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
54 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18880 |
35.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
55 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
19086 |
35.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.020 |
56 |
|
[MG]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
18594 |
35.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
|
[MG]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
19322 |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
35.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.020 |
27 |
58 |
|
[BEF]B:1002 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19322 |
37.6 |
1.1 |
0.554 |
1 |
0 |
0 |
0.000 |
59 |
|
[BEF]C:1002 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
18594 |
37.1 |
1.1 |
0.573 |
1 |
0 |
0 |
0.000 |
60 |
|
[BEF]A:1002 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19086 |
36.8 |
1.0 |
0.546 |
1 |
0 |
0 |
0.000 |
61 |
|
[BEF]D:1002 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
16725 |
35.6 |
0.9 |
0.541 |
1 |
0 |
0 |
0.000 |
Average: |
36.8 |
1.0 |
0.553 |
1 |
0 |
0 |
0.000 |
28 |
62 |
|
[BEF]E:1002 |
3 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
18519 |
31.8 |
1.5 |
0.122 |
1 |
0 |
0 |
0.000 |
29 |
63 |
|
[BEF]F:1002 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18880 |
31.8 |
1.2 |
0.118 |
1 |
0 |
0 |
0.000 |
30 |
64 |
|
B |
5 |
3 |
19086 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
2 |
18594 |
28.8 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
31 |
65 |
|
[MG]D:1001 |
1 |
1 |
98 |
f |
[ADP]D:1000 |
x,y,z |
1_555 |
4 |
1 |
553 |
26.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.016 |
66 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
[ADP]E:1000 |
x,y,z |
1_555 |
4 |
1 |
553 |
26.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
|
[MG]C:1001 |
1 |
1 |
98 |
f |
[ADP]C:1000 |
x,y,z |
1_555 |
4 |
1 |
553 |
25.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.016 |
68 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
[ADP]A:1000 |
x,y,z |
1_555 |
4 |
1 |
554 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.016 |
69 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
[ADP]B:1000 |
x,y,z |
1_555 |
4 |
1 |
553 |
25.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.016 |
70 |
|
[MG]F:1001 |
1 |
1 |
98 |
f |
[ADP]F:1000 |
x,y,z |
1_555 |
4 |
1 |
554 |
25.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.016 |
32 |
71 |
|
[BEF]E:1002 |
2 |
1 |
182 |
f |
[MG]E:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
72 |
|
[BEF]F:1002 |
2 |
1 |
181 |
f |
[MG]F:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
73 |
|
[BEF]A:1002 |
2 |
1 |
182 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
74 |
|
[BEF]B:1002 |
2 |
1 |
182 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
75 |
|
[BEF]D:1002 |
2 |
1 |
183 |
f |
[MG]D:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
76 |
|
[BEF]C:1002 |
2 |
1 |
181 |
f |
[MG]C:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
19.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
33 |
77 |
|
[MG]C:1001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18594 |
6.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
78 |
|
[MG]B:1001 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19322 |
6.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
18519 |
5.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
|
[MG]A:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19086 |
4.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
[MG]F:1001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18880 |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
[MG]D:1001 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16725 |
3.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|