| ## |
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 |
|
G |
208 |
50 |
5819 |
◊ |
F |
x,y,z |
1_555 |
212 |
56 |
8266 |
2247.5 |
-49.6 |
0.053 |
14 |
2 |
0 |
1.000 |
2 |
|
D |
212 |
52 |
5950 |
◊ |
C |
x,y,z |
1_555 |
209 |
56 |
7978 |
2234.8 |
-48.7 |
0.014 |
14 |
1 |
0 |
1.000 |
3 |
|
B |
206 |
50 |
5876 |
◊ |
A |
x,y,z |
1_555 |
204 |
56 |
8258 |
2215.5 |
-48.9 |
0.030 |
14 |
2 |
0 |
1.000 |
4 |
|
I |
206 |
53 |
6025 |
◊ |
H |
x,y,z |
1_555 |
204 |
54 |
7785 |
2208.7 |
-50.9 |
0.015 |
14 |
1 |
0 |
1.000 |
5 |
|
L |
199 |
48 |
5618 |
◊ |
K |
x,y,z |
1_555 |
202 |
54 |
7580 |
2157.6 |
-47.4 |
0.053 |
12 |
3 |
0 |
1.000 |
6 |
|
N |
202 |
52 |
5944 |
◊ |
M |
x,y,z |
1_555 |
203 |
51 |
7645 |
2151.7 |
-47.1 |
0.020 |
13 |
1 |
0 |
1.000 |
| Average: |
2202.6 |
-48.8 |
0.031 |
14 |
2 |
0 |
1.000 |
| 2 |
7 |
|
O |
139 |
34 |
9829 |
◊ |
M |
x,y,z |
1_555 |
129 |
29 |
7645 |
1209.3 |
-12.8 |
0.755 |
12 |
3 |
0 |
1.000 |
8 |
|
E |
131 |
32 |
10202 |
◊ |
C |
x,y,z |
1_555 |
126 |
27 |
7978 |
1136.8 |
-14.7 |
0.594 |
8 |
2 |
0 |
1.000 |
9 |
|
J |
120 |
28 |
10281 |
◊ |
H |
x,y,z |
1_555 |
121 |
28 |
7785 |
1103.5 |
-14.0 |
0.599 |
7 |
2 |
0 |
1.000 |
| Average: |
1149.9 |
-13.8 |
0.649 |
9 |
2 |
0 |
1.000 |
| 3 |
10 |
|
J |
136 |
33 |
10281 |
◊ |
I |
x,y,z |
1_555 |
128 |
27 |
6025 |
1194.2 |
-10.9 |
0.681 |
24 |
9 |
0 |
0.369 |
11 |
|
O |
136 |
32 |
9829 |
◊ |
N |
x,y,z |
1_555 |
125 |
25 |
5944 |
1184.3 |
-10.0 |
0.787 |
24 |
6 |
0 |
0.369 |
12 |
|
E |
135 |
31 |
10202 |
◊ |
D |
x,y,z |
1_555 |
119 |
24 |
5950 |
1170.1 |
-10.7 |
0.666 |
24 |
7 |
0 |
0.369 |
| Average: |
1182.9 |
-10.5 |
0.711 |
24 |
7 |
0 |
0.369 |
| 4 |
13 |
|
J |
125 |
31 |
10281 |
◊ |
F |
x,y,z |
1_555 |
130 |
30 |
8266 |
1143.5 |
-17.2 |
0.424 |
7 |
6 |
0 |
1.000 |
14 |
|
E |
120 |
30 |
10202 |
◊ |
A |
x,y,z |
1_555 |
130 |
30 |
8258 |
1131.0 |
-16.6 |
0.458 |
7 |
7 |
0 |
1.000 |
15 |
|
O |
110 |
28 |
9829 |
◊ |
K |
x,y,z |
1_555 |
132 |
29 |
7580 |
1106.3 |
-16.6 |
0.374 |
8 |
5 |
0 |
1.000 |
| Average: |
1126.9 |
-16.8 |
0.419 |
7 |
6 |
0 |
1.000 |
| 5 |
16 |
|
E |
105 |
28 |
10202 |
◊ |
B |
x,y,z |
1_555 |
105 |
26 |
5876 |
979.2 |
-11.3 |
0.631 |
12 |
10 |
0 |
1.000 |
17 |
|
J |
96 |
23 |
10281 |
◊ |
G |
x,y,z |
1_555 |
95 |
23 |
5819 |
890.3 |
-13.7 |
0.452 |
8 |
6 |
0 |
1.000 |
18 |
|
O |
93 |
23 |
9829 |
◊ |
L |
x,y,z |
1_555 |
93 |
21 |
5618 |
878.8 |
-11.7 |
0.651 |
10 |
9 |
0 |
1.000 |
| Average: |
916.1 |
-12.2 |
0.578 |
10 |
8 |
0 |
1.000 |
| 6 |
19 |
|
M |
62 |
15 |
7645 |
◊ |
K |
x,y,z |
1_555 |
52 |
15 |
7580 |
589.5 |
-5.9 |
0.638 |
8 |
14 |
0 |
1.000 |
20 |
|
C |
58 |
15 |
7978 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
8258 |
577.4 |
-7.0 |
0.544 |
8 |
14 |
0 |
1.000 |
21 |
|
H |
56 |
14 |
7785 |
◊ |
F |
x,y,z |
1_555 |
46 |
13 |
8266 |
564.5 |
-6.4 |
0.619 |
8 |
12 |
0 |
1.000 |
| Average: |
577.1 |
-6.4 |
0.600 |
8 |
13 |
0 |
1.000 |
| 7 |
22 |
|
O |
43 |
9 |
9829 |
◊ |
D |
x,y,z |
1_555 |
38 |
9 |
5950 |
355.9 |
-0.2 |
0.881 |
4 |
4 |
0 |
0.000 |
23 |
|
J |
41 |
10 |
10281 |
◊ |
N |
x,y,z-1 |
1_554 |
36 |
9 |
5944 |
335.1 |
-0.2 |
0.860 |
3 |
4 |
0 |
0.000 |
24 |
|
E |
35 |
9 |
10202 |
◊ |
I |
x,y,z |
1_555 |
36 |
8 |
6025 |
321.2 |
0.5 |
0.890 |
4 |
4 |
0 |
0.000 |
| Average: |
337.4 |
0.0 |
0.877 |
4 |
4 |
0 |
0.000 |
| 8 |
25 |
|
J |
26 |
7 |
10281 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
28 |
7 |
10202 |
248.0 |
0.3 |
0.834 |
3 |
0 |
0 |
0.000 |
26 |
|
E |
30 |
8 |
10202 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
28 |
7 |
10281 |
237.9 |
-0.2 |
0.829 |
3 |
0 |
0 |
0.000 |
| Average: |
243.0 |
0.1 |
0.832 |
3 |
0 |
0 |
0.000 |
| 9 |
27 |
|
O |
26 |
5 |
9829 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
7978 |
172.1 |
-1.5 |
0.715 |
0 |
0 |
0 |
0.000 |
28 |
|
E |
24 |
5 |
10202 |
◊ |
H |
x,y,z |
1_555 |
19 |
5 |
7785 |
151.2 |
-1.5 |
0.692 |
0 |
0 |
0 |
0.000 |
29 |
|
J |
25 |
6 |
10281 |
◊ |
M |
x,y,z-1 |
1_554 |
17 |
4 |
7645 |
149.0 |
-0.8 |
0.725 |
0 |
0 |
0 |
0.000 |
| Average: |
157.4 |
-1.3 |
0.711 |
0 |
0 |
0 |
0.000 |
| 10 |
30 |
|
J |
15 |
6 |
10281 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
19 |
5 |
8258 |
144.1 |
0.9 |
0.870 |
3 |
0 |
0 |
0.000 |
31 |
|
E |
13 |
5 |
10202 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
17 |
4 |
8266 |
128.2 |
-0.0 |
0.797 |
2 |
1 |
0 |
0.000 |
| Average: |
136.2 |
0.5 |
0.834 |
3 |
1 |
0 |
0.000 |
| 11 |
32 |
|
D |
17 |
7 |
5950 |
◊ |
H |
x,y,z |
1_555 |
18 |
6 |
7785 |
123.7 |
-0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
33 |
|
N |
9 |
3 |
5944 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7978 |
59.7 |
-0.6 |
0.601 |
0 |
0 |
0 |
0.000 |
34 |
|
I |
6 |
3 |
6025 |
◊ |
M |
x,y,z-1 |
1_554 |
10 |
4 |
7645 |
48.3 |
-0.8 |
0.585 |
0 |
0 |
0 |
0.000 |
| Average: |
77.2 |
-0.5 |
0.644 |
0 |
0 |
0 |
0.000 |
| 12 |
35 |
|
N |
12 |
3 |
5944 |
◊ |
L |
x,y,z |
1_555 |
11 |
3 |
5618 |
122.0 |
-3.7 |
0.153 |
0 |
0 |
0 |
0.045 |
36 |
|
D |
11 |
3 |
5950 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
5876 |
121.8 |
-3.7 |
0.116 |
0 |
0 |
0 |
0.045 |
37 |
|
I |
11 |
3 |
6025 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
5819 |
121.4 |
-3.7 |
0.139 |
0 |
0 |
0 |
0.045 |
| Average: |
121.7 |
-3.7 |
0.136 |
0 |
0 |
0 |
0.045 |
| 13 |
38 |
|
I |
15 |
4 |
6025 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
5876 |
119.6 |
0.3 |
0.772 |
1 |
1 |
0 |
0.000 |
39 |
|
G |
15 |
6 |
5819 |
◊ |
N |
x,y,z-1 |
1_554 |
11 |
4 |
5944 |
107.6 |
1.6 |
0.897 |
3 |
2 |
0 |
0.000 |
40 |
|
L |
5 |
3 |
5618 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
5950 |
30.9 |
-0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
| Average: |
86.0 |
0.6 |
0.766 |
1 |
1 |
0 |
0.000 |
| 14 |
41 |
|
J |
11 |
5 |
10281 |
◊ |
O |
x,y,z-1 |
1_554 |
14 |
3 |
9829 |
89.6 |
-0.4 |
0.680 |
1 |
0 |
0 |
0.000 |
42 |
|
J |
10 |
4 |
10281 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
10202 |
65.5 |
0.1 |
0.693 |
1 |
0 |
0 |
0.000 |
43 |
|
O |
9 |
5 |
9829 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
10202 |
64.1 |
-0.1 |
0.709 |
1 |
0 |
0 |
0.000 |
| Average: |
73.0 |
-0.1 |
0.694 |
1 |
0 |
0 |
0.000 |
| 15 |
44 |
|
[GOL]H:201 |
6 |
1 |
214 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
7785 |
83.3 |
-0.6 |
0.646 |
1 |
0 |
0 |
0.100 |
| 16 |
45 |
|
[GOL]H:201 |
6 |
1 |
214 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
10281 |
58.3 |
-1.0 |
0.560 |
0 |
0 |
0 |
0.052 |
| 17 |
46 |
|
[GOL]B:101 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
8258 |
52.9 |
-0.6 |
0.547 |
0 |
0 |
0 |
0.100 |
| 18 |
47 |
|
C |
4 |
1 |
7978 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
10281 |
43.9 |
1.1 |
0.872 |
1 |
1 |
0 |
0.000 |
48 |
|
H |
4 |
1 |
7785 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
5 |
2 |
10202 |
35.9 |
0.8 |
0.849 |
1 |
0 |
0 |
0.000 |
| Average: |
39.9 |
0.9 |
0.861 |
1 |
1 |
0 |
0.000 |
| 19 |
49 |
|
J |
3 |
1 |
10281 |
◊ |
[GOL]B:101 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
219 |
39.6 |
0.3 |
0.603 |
1 |
0 |
0 |
0.000 |
| 20 |
50 |
|
O |
6 |
2 |
9829 |
x |
O |
x,y-1,z |
1_545 |
5 |
2 |
9829 |
36.1 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.000 |
| 21 |
51 |
|
[ZN]N:101 |
1 |
1 |
98 |
cf |
N |
x,y,z |
1_555 |
9 |
4 |
5944 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.333 |
52 |
|
[ZN]D:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
5950 |
34.0 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.333 |
53 |
|
[ZN]J:901 |
1 |
1 |
98 |
cf |
I |
x,y,z |
1_555 |
9 |
4 |
6025 |
33.9 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.333 |
| Average: |
34.1 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.333 |
| 22 |
54 |
|
[ZN]D:101 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
10202 |
33.1 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.315 |
55 |
|
[ZN]J:901 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
10281 |
33.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.315 |
56 |
|
[ZN]N:101 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
6 |
3 |
9829 |
32.8 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.315 |
| Average: |
33.0 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.315 |
| 23 |
57 |
|
[GOL]B:101 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5876 |
32.1 |
0.5 |
0.675 |
1 |
0 |
0 |
0.000 |
| 24 |
58 |
|
K |
4 |
1 |
7580 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
5876 |
28.0 |
-0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| 25 |
59 |
|
F |
2 |
1 |
8266 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7785 |
23.9 |
-0.3 |
0.462 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
E |
2 |
1 |
10202 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
5819 |
18.4 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
61 |
|
J |
2 |
1 |
10281 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
5876 |
16.1 |
0.4 |
0.796 |
0 |
0 |
0 |
0.000 |
| Average: |
17.3 |
0.4 |
0.792 |
0 |
0 |
0 |
0.000 |
| 27 |
62 |
|
G |
2 |
1 |
5819 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7785 |
12.5 |
0.6 |
0.871 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
2 |
1 |
5876 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7978 |
11.7 |
0.6 |
0.857 |
0 |
0 |
0 |
0.000 |
64 |
|
L |
1 |
1 |
5618 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
7645 |
5.7 |
0.4 |
0.857 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
0.5 |
0.862 |
0 |
0 |
0 |
0.000 |
| 28 |
65 |
|
J |
1 |
1 |
10281 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
5819 |
8.2 |
0.2 |
0.554 |
0 |
0 |
0 |
0.000 |
| 29 |
66 |
|
L |
1 |
1 |
5618 |
◊ |
O |
x,y-1,z |
1_545 |
1 |
1 |
9829 |
5.2 |
0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
| 30 |
67 |
|
G |
1 |
1 |
5819 |
◊ |
M |
x,y,z-1 |
1_554 |
1 |
1 |
7645 |
4.7 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
1 |
1 |
5876 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7785 |
3.8 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
| 31 |
69 |
|
[GOL]H:201 |
1 |
1 |
214 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10202 |
0.6 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
|