| ## |
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 |
|
J |
108 |
28 |
4923 |
◊ |
J |
-x+1,y,-z+1 |
2_656 |
108 |
28 |
4923 |
1149.7 |
-21.4 |
0.035 |
11 |
2 |
0 |
1.000 |
2 |
|
I |
103 |
25 |
4480 |
◊ |
H |
x,y,z |
1_555 |
107 |
25 |
4254 |
1061.9 |
-22.1 |
0.044 |
6 |
0 |
0 |
1.000 |
3 |
|
G |
94 |
25 |
4843 |
◊ |
F |
x,y,z |
1_555 |
103 |
27 |
4335 |
1047.5 |
-21.4 |
0.027 |
5 |
0 |
0 |
1.000 |
| Average: |
1086.4 |
-21.6 |
0.035 |
7 |
1 |
0 |
1.000 |
| 2 |
4 |
|
H |
46 |
13 |
4254 |
◊ |
C |
x,y,z |
1_555 |
45 |
14 |
8293 |
482.1 |
-4.8 |
0.180 |
5 |
0 |
0 |
0.153 |
5 |
|
F |
47 |
13 |
4335 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
8015 |
474.1 |
-4.2 |
0.310 |
6 |
0 |
0 |
0.153 |
6 |
|
I |
49 |
12 |
4480 |
◊ |
D |
x,y,z |
1_555 |
45 |
15 |
7753 |
471.8 |
-3.0 |
0.307 |
5 |
0 |
0 |
0.153 |
7 |
|
G |
48 |
12 |
4843 |
◊ |
B |
x,y,z |
1_555 |
46 |
15 |
8459 |
446.4 |
-5.3 |
0.144 |
4 |
0 |
0 |
0.153 |
8 |
|
J |
47 |
12 |
4923 |
◊ |
E |
x,y,z |
1_555 |
44 |
15 |
8269 |
445.1 |
-5.4 |
0.165 |
5 |
0 |
0 |
0.153 |
| Average: |
463.9 |
-4.5 |
0.221 |
5 |
0 |
0 |
0.153 |
| 3 |
9 |
|
B |
50 |
16 |
8459 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
54 |
18 |
7753 |
444.6 |
-5.5 |
0.280 |
2 |
0 |
0 |
0.000 |
| 4 |
10 |
|
A |
45 |
11 |
8015 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
47 |
12 |
8269 |
436.7 |
-1.9 |
0.604 |
8 |
0 |
0 |
0.000 |
11 |
|
C |
41 |
13 |
8293 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
8459 |
411.3 |
-0.9 |
0.581 |
9 |
0 |
0 |
0.000 |
| Average: |
424.0 |
-1.4 |
0.593 |
9 |
0 |
0 |
0.000 |
| 5 |
12 |
|
[GNP]E:5202 |
32 |
1 |
638 |
f |
E |
x,y,z |
1_555 |
61 |
25 |
8269 |
426.6 |
-3.7 |
0.526 |
21 |
0 |
0 |
0.260 |
13 |
|
[GNP]C:3202 |
31 |
1 |
645 |
f |
C |
x,y,z |
1_555 |
65 |
25 |
8293 |
425.3 |
-3.8 |
0.510 |
19 |
0 |
0 |
0.260 |
14 |
|
[GNP]A:1202 |
32 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
64 |
25 |
8015 |
424.7 |
-3.9 |
0.560 |
18 |
0 |
0 |
0.260 |
15 |
|
[GNP]B:2202 |
31 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
59 |
24 |
8459 |
422.2 |
-3.7 |
0.491 |
20 |
0 |
0 |
0.260 |
16 |
|
[GNP]D:4202 |
32 |
1 |
647 |
f |
D |
x,y,z |
1_555 |
57 |
22 |
7753 |
422.0 |
-2.6 |
0.616 |
20 |
0 |
0 |
0.260 |
| Average: |
424.2 |
-3.5 |
0.541 |
20 |
0 |
0 |
0.260 |
| 6 |
17 |
|
F |
33 |
10 |
4335 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
36 |
12 |
8269 |
302.3 |
1.5 |
0.814 |
6 |
2 |
0 |
0.000 |
18 |
|
A |
29 |
8 |
8015 |
◊ |
J |
x-1/2,y-1/2,z |
3_445 |
32 |
11 |
4923 |
249.0 |
2.3 |
0.879 |
2 |
1 |
0 |
0.000 |
19 |
|
G |
26 |
9 |
4843 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
8293 |
246.9 |
1.9 |
0.842 |
2 |
2 |
0 |
0.000 |
| Average: |
266.1 |
1.9 |
0.845 |
3 |
2 |
0 |
0.000 |
| 7 |
20 |
|
I |
29 |
8 |
4480 |
◊ |
C |
x,y,z |
1_555 |
29 |
8 |
8293 |
295.8 |
-4.3 |
0.217 |
2 |
2 |
0 |
0.112 |
21 |
|
J |
32 |
11 |
4923 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
28 |
9 |
8269 |
291.1 |
-4.0 |
0.278 |
3 |
2 |
0 |
0.112 |
22 |
|
F |
29 |
9 |
4335 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
8459 |
288.2 |
-2.9 |
0.353 |
2 |
4 |
0 |
0.112 |
23 |
|
H |
25 |
7 |
4254 |
◊ |
D |
x,y,z |
1_555 |
25 |
7 |
7753 |
270.8 |
-4.0 |
0.288 |
3 |
1 |
0 |
0.112 |
24 |
|
G |
22 |
7 |
4843 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
8015 |
253.7 |
-4.1 |
0.227 |
2 |
1 |
0 |
0.112 |
| Average: |
279.9 |
-3.9 |
0.273 |
2 |
2 |
0 |
0.112 |
| 8 |
25 |
|
J |
27 |
9 |
4923 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
29 |
10 |
8015 |
213.4 |
-0.4 |
0.631 |
3 |
1 |
0 |
0.000 |
26 |
|
G |
22 |
7 |
4843 |
◊ |
E |
x,y,z |
1_555 |
27 |
8 |
8269 |
176.3 |
1.5 |
0.807 |
4 |
2 |
0 |
0.000 |
| Average: |
194.9 |
0.6 |
0.719 |
4 |
2 |
0 |
0.000 |
| 9 |
27 |
|
H |
25 |
8 |
4254 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
8459 |
196.0 |
-0.7 |
0.625 |
0 |
1 |
0 |
0.000 |
| 10 |
28 |
|
E |
18 |
4 |
8269 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
23 |
7 |
8015 |
195.4 |
-2.1 |
0.359 |
1 |
0 |
0 |
0.000 |
29 |
|
E |
14 |
6 |
8269 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
8459 |
133.4 |
-1.1 |
0.421 |
1 |
0 |
0 |
0.000 |
| Average: |
164.4 |
-1.6 |
0.390 |
1 |
0 |
0 |
0.000 |
| 11 |
30 |
|
C |
22 |
8 |
8293 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
19 |
5 |
8269 |
186.0 |
-0.2 |
0.568 |
2 |
1 |
0 |
0.000 |
| 12 |
31 |
|
A |
17 |
6 |
8015 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
7 |
8293 |
126.6 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
E |
15 |
8 |
8269 |
x |
C |
x,y,z |
1_555 |
9 |
4 |
8293 |
118.6 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
7 |
3 |
8015 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
8015 |
58.8 |
-1.5 |
0.243 |
0 |
0 |
0 |
0.000 |
| Average: |
88.7 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.000 |
| 14 |
34 |
|
J |
11 |
2 |
4923 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
12 |
3 |
4843 |
108.8 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 15 |
35 |
|
C |
10 |
3 |
8293 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
14 |
5 |
4843 |
96.4 |
0.1 |
0.542 |
2 |
0 |
0 |
0.000 |
| 16 |
36 |
|
C |
13 |
5 |
8293 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
4335 |
90.6 |
1.2 |
0.800 |
2 |
0 |
0 |
0.000 |
| 17 |
37 |
|
C |
3 |
1 |
8293 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
8459 |
60.6 |
-1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
| 18 |
38 |
|
[MG]A:1201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8015 |
41.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.117 |
39 |
|
[MG]B:2201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8459 |
40.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.117 |
40 |
|
[MG]D:4201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
7753 |
40.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.117 |
41 |
|
[MG]C:3201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8293 |
40.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.117 |
42 |
|
[MG]E:5201 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
8269 |
39.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
40.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.117 |
| 19 |
43 |
|
J |
7 |
3 |
4923 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4843 |
37.0 |
0.8 |
0.787 |
1 |
1 |
0 |
0.000 |
44 |
|
J |
3 |
1 |
4923 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
4335 |
24.9 |
0.7 |
0.775 |
0 |
0 |
0 |
0.000 |
| Average: |
30.9 |
0.7 |
0.781 |
1 |
1 |
0 |
0.000 |
| 20 |
45 |
|
[GNP]D:4202 |
4 |
1 |
647 |
f |
[MG]D:4201 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.091 |
46 |
|
[GNP]B:2202 |
4 |
1 |
639 |
f |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.091 |
47 |
|
[GNP]A:1202 |
5 |
1 |
642 |
f |
[MG]A:1201 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.091 |
48 |
|
[GNP]C:3202 |
3 |
1 |
645 |
f |
[MG]C:3201 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.091 |
49 |
|
[GNP]E:5202 |
5 |
1 |
638 |
f |
[MG]E:5201 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.091 |
| 21 |
50 |
|
I |
4 |
1 |
4480 |
◊ |
D |
-x,y,-z |
2_555 |
4 |
1 |
7753 |
18.9 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
| 22 |
51 |
|
B |
3 |
1 |
8459 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
8269 |
10.0 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
| 23 |
52 |
|
D |
3 |
2 |
7753 |
◊ |
D |
-x,y,-z |
2_555 |
3 |
2 |
7753 |
7.9 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 24 |
53 |
|
G |
1 |
1 |
4843 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
8269 |
5.8 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
2 |
1 |
8015 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
4923 |
4.2 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
55 |
|
F |
1 |
1 |
4335 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8293 |
1.1 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 25 |
56 |
|
C |
1 |
1 |
8293 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8015 |
5.5 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
1 |
1 |
8015 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
8269 |
3.7 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| Average: |
4.6 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|