| ## |
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 |
183 |
57 |
21701 |
◊ |
E |
x,y,z |
1_555 |
168 |
41 |
21396 |
1698.4 |
-13.4 |
0.121 |
23 |
5 |
0 |
0.182 |
2 |
|
B |
183 |
57 |
21830 |
◊ |
A |
x,y,z |
1_555 |
179 |
45 |
21557 |
1674.1 |
-12.9 |
0.112 |
25 |
4 |
0 |
0.182 |
| Average: |
1686.3 |
-13.2 |
0.117 |
24 |
5 |
0 |
0.182 |
| 2 |
3 |
|
C |
175 |
50 |
21406 |
◊ |
B |
x,y,z |
1_555 |
157 |
42 |
21830 |
1597.9 |
-8.3 |
0.172 |
21 |
8 |
0 |
0.150 |
4 |
|
F |
162 |
48 |
21636 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
147 |
40 |
21701 |
1538.2 |
-9.8 |
0.114 |
22 |
5 |
0 |
0.150 |
| Average: |
1568.0 |
-9.1 |
0.143 |
22 |
7 |
0 |
0.150 |
| 3 |
5 |
|
C |
135 |
36 |
21406 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
128 |
36 |
21557 |
1257.5 |
-4.4 |
0.205 |
21 |
2 |
0 |
0.068 |
6 |
|
F |
128 |
35 |
21636 |
◊ |
E |
x,y,z |
1_555 |
133 |
43 |
21396 |
1252.5 |
-7.3 |
0.174 |
13 |
0 |
0 |
0.068 |
| Average: |
1255.0 |
-5.9 |
0.190 |
17 |
1 |
0 |
0.068 |
| 4 |
7 |
|
B |
104 |
29 |
21830 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
97 |
25 |
21557 |
900.7 |
-0.7 |
0.536 |
13 |
4 |
0 |
0.000 |
| 5 |
8 |
|
E |
95 |
26 |
21396 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
101 |
31 |
21701 |
863.8 |
-1.1 |
0.510 |
15 |
3 |
0 |
0.000 |
| 6 |
9 |
|
A |
43 |
16 |
21557 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
42 |
15 |
21396 |
399.3 |
3.5 |
0.805 |
7 |
3 |
0 |
0.000 |
| 7 |
10 |
|
D |
48 |
12 |
21701 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
49 |
15 |
21557 |
394.1 |
-3.7 |
0.230 |
2 |
1 |
0 |
0.000 |
| 8 |
11 |
|
[ADP]B:1607 |
27 |
1 |
543 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
21830 |
348.3 |
-4.7 |
0.542 |
13 |
0 |
0 |
0.080 |
12 |
|
[ADP]D:1608 |
27 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
45 |
19 |
21701 |
346.1 |
-4.9 |
0.547 |
12 |
0 |
0 |
0.080 |
| Average: |
347.2 |
-4.8 |
0.544 |
13 |
0 |
0 |
0.080 |
| 9 |
13 |
|
[ADP]A:1604 |
27 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
21557 |
346.7 |
-4.4 |
0.534 |
12 |
0 |
0 |
0.075 |
14 |
|
[ADP]E:1604 |
27 |
1 |
538 |
f |
E |
x,y,z |
1_555 |
44 |
19 |
21396 |
345.6 |
-4.4 |
0.591 |
14 |
0 |
0 |
0.075 |
| Average: |
346.2 |
-4.4 |
0.562 |
13 |
0 |
0 |
0.075 |
| 10 |
15 |
|
[ADP]C:1608 |
27 |
1 |
546 |
f |
C |
x,y,z |
1_555 |
48 |
21 |
21406 |
344.4 |
-4.6 |
0.503 |
12 |
0 |
0 |
0.075 |
16 |
|
[ADP]F:1607 |
26 |
1 |
543 |
f |
F |
x,y,z |
1_555 |
48 |
20 |
21636 |
330.0 |
-4.3 |
0.480 |
12 |
0 |
0 |
0.075 |
| Average: |
337.2 |
-4.4 |
0.491 |
12 |
0 |
0 |
0.075 |
| 11 |
17 |
|
B |
23 |
6 |
21830 |
◊ |
E |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
25 |
9 |
21396 |
214.2 |
-0.5 |
0.302 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
E |
22 |
6 |
21396 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
21557 |
178.6 |
2.0 |
0.783 |
2 |
2 |
0 |
0.000 |
| 13 |
19 |
|
F |
21 |
7 |
21636 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
21830 |
156.0 |
3.1 |
0.850 |
2 |
2 |
0 |
0.000 |
20 |
|
C |
18 |
6 |
21406 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
7 |
21701 |
138.3 |
1.8 |
0.767 |
0 |
1 |
0 |
0.000 |
| Average: |
147.2 |
2.5 |
0.809 |
1 |
2 |
0 |
0.000 |
| 14 |
21 |
|
C |
15 |
4 |
21406 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
19 |
6 |
21830 |
139.4 |
-0.9 |
0.184 |
0 |
0 |
0 |
0.004 |
| 15 |
22 |
|
C |
13 |
4 |
21406 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
14 |
5 |
21557 |
109.1 |
0.9 |
0.688 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
F |
13 |
5 |
21636 |
◊ |
C |
y,x,-z+1 |
7_556 |
15 |
7 |
21406 |
105.7 |
2.3 |
0.834 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
F |
12 |
3 |
21636 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
21701 |
103.1 |
-2.1 |
0.170 |
0 |
0 |
0 |
0.010 |
| 18 |
25 |
|
C |
11 |
3 |
21406 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
10 |
4 |
21701 |
73.2 |
0.6 |
0.611 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
7 |
5 |
21830 |
◊ |
F |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
6 |
3 |
21636 |
38.9 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
| Average: |
56.0 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
B |
11 |
4 |
21830 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
21396 |
61.8 |
0.8 |
0.718 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
8 |
3 |
21701 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
21557 |
61.6 |
1.1 |
0.772 |
0 |
0 |
0 |
0.000 |
| Average: |
61.7 |
1.0 |
0.745 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
E |
4 |
1 |
21396 |
◊ |
F |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
5 |
3 |
21636 |
57.8 |
1.4 |
0.794 |
1 |
0 |
0 |
0.000 |
| 21 |
30 |
|
F |
6 |
1 |
21636 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
21406 |
56.7 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[ZN]C:1607 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
21406 |
52.5 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.284 |
32 |
|
[ZN]F:1606 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
21636 |
50.1 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.284 |
| Average: |
51.3 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.284 |
| 23 |
33 |
|
[ZN]E:1603 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
21396 |
51.1 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.259 |
34 |
|
[ZN]A:1603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21557 |
50.6 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
50.8 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.259 |
| 24 |
35 |
|
[ZN]B:1606 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21830 |
50.4 |
-34.9 |
0.000 |
0 |
0 |
0 |
0.282 |
36 |
|
[ZN]D:1607 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
21701 |
50.3 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.282 |
| Average: |
50.3 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.282 |
| 25 |
37 |
|
[MG]B:1608 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21830 |
48.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.038 |
38 |
|
[MG]D:1609 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
21701 |
33.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
40.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 26 |
39 |
|
[MG]A:1605 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21557 |
45.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
40 |
|
[MG]E:1605 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
21396 |
38.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
42.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 27 |
41 |
|
[MG]C:1609 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
21406 |
44.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.039 |
42 |
|
[MG]F:1608 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
21636 |
42.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
43.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
| 28 |
43 |
|
[MG]D:1609 |
1 |
1 |
98 |
f |
[ADP]D:1608 |
x,y,z |
1_555 |
5 |
1 |
540 |
43.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.102 |
44 |
|
[MG]E:1605 |
1 |
1 |
98 |
f |
[ADP]E:1604 |
x,y,z |
1_555 |
5 |
1 |
538 |
41.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.102 |
45 |
|
[MG]F:1608 |
1 |
1 |
98 |
f |
[ADP]F:1607 |
x,y,z |
1_555 |
4 |
1 |
543 |
39.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.102 |
46 |
|
[MG]A:1605 |
1 |
1 |
98 |
f |
[ADP]A:1604 |
x,y,z |
1_555 |
4 |
1 |
543 |
33.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.102 |
47 |
|
[MG]B:1608 |
1 |
1 |
98 |
f |
[ADP]B:1607 |
x,y,z |
1_555 |
4 |
1 |
543 |
33.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.102 |
48 |
|
[MG]C:1609 |
1 |
1 |
98 |
f |
[ADP]C:1608 |
x,y,z |
1_555 |
4 |
1 |
546 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
37.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.102 |
| 29 |
49 |
|
B |
3 |
2 |
21830 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
3 |
1 |
21396 |
15.4 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
| 30 |
50 |
|
E |
3 |
2 |
21396 |
x |
E |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
2 |
21396 |
10.6 |
0.2 |
0.682 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
A |
1 |
1 |
21557 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
21557 |
8.0 |
0.4 |
0.849 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
F |
2 |
1 |
21636 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21557 |
5.7 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
| 33 |
53 |
|
C |
1 |
1 |
21406 |
◊ |
E |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
21396 |
0.2 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|