| ## |
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 |
546 |
135 |
27103 |
◊ |
C |
x,y,z |
1_555 |
537 |
125 |
29979 |
5200.5 |
-64.0 |
0.014 |
65 |
29 |
0 |
0.742 |
2 |
|
B |
552 |
134 |
27080 |
◊ |
A |
x,y,z |
1_555 |
529 |
125 |
30064 |
5176.3 |
-62.8 |
0.015 |
63 |
29 |
0 |
0.742 |
| Average: |
5188.4 |
-63.4 |
0.015 |
64 |
29 |
0 |
0.742 |
| 2 |
3 |
|
[B12]A:1800 |
81 |
1 |
1497 |
◊ |
A |
x,y,z |
1_555 |
158 |
58 |
30064 |
1128.7 |
-13.5 |
0.373 |
19 |
0 |
0 |
0.399 |
4 |
|
[B12]C:2800 |
80 |
1 |
1500 |
◊ |
C |
x,y,z |
1_555 |
150 |
55 |
29979 |
1128.1 |
-12.4 |
0.433 |
18 |
0 |
0 |
0.399 |
| Average: |
1128.4 |
-12.9 |
0.403 |
19 |
0 |
0 |
0.399 |
| 3 |
5 |
|
[MCD]C:2802 |
52 |
1 |
1081 |
f |
C |
x,y,z |
1_555 |
97 |
34 |
29979 |
511.0 |
-6.4 |
0.713 |
17 |
0 |
0 |
0.257 |
6 |
|
[MCD]A:1802 |
52 |
1 |
1081 |
f |
A |
x,y,z |
1_555 |
99 |
34 |
30064 |
508.9 |
-6.2 |
0.718 |
15 |
0 |
0 |
0.257 |
| Average: |
510.0 |
-6.3 |
0.716 |
16 |
0 |
0 |
0.257 |
| 4 |
7 |
|
[SCD]C:2801 |
52 |
1 |
1078 |
f |
C |
x,y,z |
1_555 |
96 |
34 |
29979 |
501.7 |
-6.2 |
0.714 |
15 |
0 |
0 |
0.240 |
8 |
|
[SCD]A:1801 |
53 |
1 |
1082 |
f |
A |
x,y,z |
1_555 |
97 |
34 |
30064 |
501.2 |
-6.1 |
0.719 |
16 |
0 |
0 |
0.240 |
| Average: |
501.5 |
-6.1 |
0.717 |
16 |
0 |
0 |
0.240 |
| 5 |
9 |
|
[MCD]A:1802 |
53 |
1 |
1081 |
f |
[SCD]A:1801 |
x,y,z |
1_555 |
52 |
1 |
1082 |
376.3 |
-7.7 |
0.864 |
0 |
0 |
0 |
0.142 |
10 |
|
[MCD]C:2802 |
53 |
1 |
1081 |
f |
[SCD]C:2801 |
x,y,z |
1_555 |
52 |
1 |
1078 |
373.4 |
-7.7 |
0.872 |
0 |
0 |
0 |
0.142 |
| Average: |
374.9 |
-7.7 |
0.868 |
0 |
0 |
0 |
0.142 |
| 6 |
11 |
|
A |
44 |
11 |
30064 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
42 |
10 |
29979 |
322.3 |
-1.5 |
0.636 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
34 |
13 |
27080 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
15 |
30064 |
291.8 |
3.5 |
0.941 |
3 |
5 |
0 |
0.000 |
13 |
|
C |
39 |
13 |
29979 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
32 |
12 |
27103 |
282.9 |
3.2 |
0.929 |
5 |
5 |
0 |
0.000 |
| Average: |
287.3 |
3.4 |
0.935 |
4 |
5 |
0 |
0.000 |
| 8 |
14 |
|
A |
18 |
6 |
30064 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
27103 |
165.5 |
-0.9 |
0.584 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
18 |
5 |
30064 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
21 |
7 |
29979 |
157.8 |
-1.0 |
0.556 |
3 |
4 |
0 |
0.000 |
| 10 |
16 |
|
[GOL]D:3004 |
6 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
27103 |
140.7 |
0.3 |
0.704 |
3 |
0 |
0 |
0.045 |
| 11 |
17 |
|
[GOL]B:3002 |
6 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
27080 |
140.4 |
0.2 |
0.646 |
7 |
0 |
0 |
0.070 |
| 12 |
18 |
|
D |
18 |
7 |
27103 |
◊ |
B |
x-1,y+1,z-1 |
1_464 |
14 |
5 |
27080 |
137.5 |
0.7 |
0.776 |
3 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
14 |
4 |
29979 |
x |
C |
x,y,z-1 |
1_554 |
13 |
3 |
29979 |
124.9 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[GOL]B:3001 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
27080 |
115.8 |
-0.3 |
0.556 |
2 |
0 |
0 |
0.055 |
21 |
|
[GOL]D:3003 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
27103 |
115.0 |
-0.4 |
0.584 |
2 |
0 |
0 |
0.055 |
| Average: |
115.4 |
-0.4 |
0.570 |
2 |
0 |
0 |
0.055 |
| 15 |
22 |
|
D |
9 |
3 |
27103 |
◊ |
B |
x-1,y+1,z |
1_465 |
10 |
2 |
27080 |
71.3 |
0.4 |
0.724 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
8 |
2 |
27080 |
◊ |
D |
x,y-1,z+1 |
1_546 |
9 |
2 |
27103 |
58.3 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
| Average: |
64.8 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
A |
8 |
3 |
30064 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
29979 |
62.1 |
-0.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
B |
4 |
2 |
27080 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
1 |
29979 |
57.3 |
-0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[B12]A:1800 |
10 |
1 |
1497 |
◊ |
[MCD]A:1802 |
x,y,z |
1_555 |
5 |
1 |
1081 |
53.6 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
27 |
|
[B12]C:2800 |
10 |
1 |
1500 |
◊ |
[MCD]C:2802 |
x,y,z |
1_555 |
5 |
1 |
1081 |
53.5 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
| Average: |
53.6 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[B12]A:1800 |
10 |
1 |
1497 |
◊ |
[SCD]A:1801 |
x,y,z |
1_555 |
4 |
1 |
1082 |
53.1 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
29 |
|
[B12]C:2800 |
10 |
1 |
1500 |
◊ |
[SCD]C:2801 |
x,y,z |
1_555 |
5 |
1 |
1078 |
52.9 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| Average: |
53.0 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[MCD]C:2802 |
8 |
1 |
1081 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
27103 |
50.2 |
1.5 |
0.915 |
0 |
0 |
0 |
0.000 |
31 |
|
[MCD]A:1802 |
9 |
1 |
1081 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
27080 |
48.9 |
1.5 |
0.918 |
0 |
0 |
0 |
0.000 |
| Average: |
49.6 |
1.5 |
0.916 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[SCD]C:2801 |
7 |
1 |
1078 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
27103 |
49.5 |
1.5 |
0.916 |
0 |
0 |
0 |
0.000 |
33 |
|
[SCD]A:1801 |
7 |
1 |
1082 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
27080 |
48.2 |
1.5 |
0.918 |
0 |
0 |
0 |
0.000 |
| Average: |
48.9 |
1.5 |
0.917 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
A |
5 |
2 |
30064 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
2 |
27103 |
37.1 |
0.6 |
0.812 |
1 |
1 |
0 |
0.000 |
| 23 |
35 |
|
B |
1 |
1 |
27080 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
27103 |
17.7 |
0.9 |
0.941 |
1 |
1 |
0 |
0.000 |
|