## |
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 |
|
E |
110 |
29 |
7650 |
◊ |
D |
x,y,z |
1_555 |
103 |
29 |
7738 |
919.1 |
-3.7 |
0.438 |
14 |
10 |
0 |
0.305 |
2 |
|
B |
108 |
28 |
7754 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
7714 |
914.9 |
-3.2 |
0.464 |
15 |
8 |
0 |
0.305 |
3 |
|
C |
102 |
29 |
7669 |
◊ |
A |
x,y,z |
1_555 |
105 |
29 |
7714 |
912.9 |
-3.9 |
0.451 |
15 |
8 |
0 |
0.305 |
4 |
|
C |
107 |
29 |
7669 |
◊ |
B |
x,y,z |
1_555 |
102 |
30 |
7754 |
912.5 |
-5.1 |
0.401 |
15 |
8 |
0 |
0.305 |
5 |
|
F |
107 |
29 |
7735 |
◊ |
E |
x,y,z |
1_555 |
104 |
28 |
7650 |
910.5 |
-3.7 |
0.455 |
15 |
9 |
0 |
0.305 |
6 |
|
F |
99 |
29 |
7735 |
◊ |
D |
x,y,z |
1_555 |
107 |
29 |
7738 |
906.2 |
-3.5 |
0.446 |
16 |
9 |
0 |
0.305 |
Average: |
912.7 |
-3.9 |
0.442 |
15 |
9 |
0 |
0.305 |
2 |
7 |
|
B |
61 |
19 |
7754 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
64 |
21 |
7738 |
667.0 |
-1.3 |
0.537 |
5 |
0 |
0 |
0.000 |
8 |
|
F |
63 |
20 |
7735 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
60 |
19 |
7714 |
654.0 |
1.6 |
0.732 |
5 |
1 |
0 |
0.000 |
Average: |
660.5 |
0.1 |
0.634 |
5 |
1 |
0 |
0.000 |
3 |
9 |
|
F |
48 |
15 |
7735 |
◊ |
C |
y-1,x,-z+1 |
7_456 |
48 |
14 |
7669 |
467.8 |
-2.0 |
0.480 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
46 |
14 |
7738 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
7754 |
461.8 |
-1.8 |
0.473 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
47 |
14 |
7714 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
43 |
14 |
7650 |
445.5 |
-1.6 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
458.4 |
-1.8 |
0.477 |
0 |
0 |
0 |
0.000 |
4 |
12 |
|
E |
46 |
17 |
7650 |
◊ |
C |
x,y-1,z |
1_545 |
43 |
15 |
7669 |
409.8 |
-0.4 |
0.590 |
0 |
6 |
0 |
0.000 |
5 |
13 |
|
[C5P]A:1602 |
19 |
1 |
461 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
7714 |
242.8 |
-0.6 |
0.714 |
8 |
0 |
0 |
0.113 |
14 |
|
[C5P]F:1604 |
20 |
1 |
459 |
f |
F |
x,y,z |
1_555 |
30 |
11 |
7735 |
241.5 |
-0.6 |
0.707 |
9 |
0 |
0 |
0.113 |
15 |
|
[C5P]F:1606 |
20 |
1 |
456 |
f |
E |
x,y,z |
1_555 |
30 |
11 |
7650 |
240.4 |
-0.7 |
0.683 |
9 |
0 |
0 |
0.113 |
16 |
|
[C5P]B:1603 |
20 |
1 |
456 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
7754 |
240.1 |
-0.8 |
0.683 |
8 |
0 |
0 |
0.113 |
17 |
|
[C5P]D:1605 |
19 |
1 |
457 |
f |
D |
x,y,z |
1_555 |
31 |
11 |
7738 |
240.0 |
-0.6 |
0.694 |
8 |
0 |
0 |
0.113 |
18 |
|
[C5P]C:1601 |
17 |
1 |
458 |
f |
C |
x,y,z |
1_555 |
31 |
11 |
7669 |
233.9 |
-0.4 |
0.711 |
8 |
0 |
0 |
0.113 |
Average: |
239.8 |
-0.6 |
0.699 |
8 |
0 |
0 |
0.113 |
6 |
19 |
|
C |
24 |
7 |
7669 |
◊ |
C |
y-1,x+1,-z+1 |
7_466 |
24 |
7 |
7669 |
187.0 |
0.8 |
0.701 |
0 |
0 |
0 |
0.000 |
7 |
20 |
|
E |
23 |
7 |
7650 |
◊ |
E |
-y,-x,-z+1/2 |
8_555 |
23 |
7 |
7650 |
182.2 |
0.8 |
0.676 |
0 |
0 |
0 |
0.000 |
8 |
21 |
|
F |
14 |
4 |
7735 |
◊ |
B |
y-1,x,-z+1 |
7_456 |
23 |
7 |
7754 |
143.2 |
-0.8 |
0.475 |
1 |
0 |
0 |
0.000 |
22 |
|
F |
23 |
7 |
7735 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
7754 |
141.4 |
0.9 |
0.657 |
1 |
2 |
0 |
0.000 |
23 |
|
E |
21 |
6 |
7650 |
◊ |
C |
y-1,x,-z+1 |
7_456 |
14 |
4 |
7669 |
135.0 |
-1.1 |
0.449 |
1 |
0 |
0 |
0.000 |
24 |
|
C |
19 |
7 |
7669 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
12 |
4 |
7650 |
130.8 |
-1.1 |
0.431 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
11 |
4 |
7738 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
7714 |
130.0 |
0.2 |
0.542 |
2 |
1 |
0 |
0.000 |
26 |
|
A |
12 |
4 |
7714 |
◊ |
D |
-y,-x+1,-z+1/2 |
8_565 |
12 |
5 |
7738 |
110.8 |
-0.5 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
131.9 |
-0.4 |
0.498 |
1 |
1 |
0 |
0.000 |
9 |
27 |
|
B |
13 |
5 |
7754 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
14 |
4 |
7754 |
100.4 |
-0.6 |
0.513 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
16 |
5 |
7738 |
x |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
16 |
5 |
7738 |
100.1 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
14 |
5 |
7714 |
x |
C |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
15 |
6 |
7669 |
94.5 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.000 |
30 |
|
F |
13 |
3 |
7735 |
x |
E |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
15 |
4 |
7650 |
89.4 |
-0.8 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
96.1 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.000 |
10 |
31 |
|
[C5P]A:1602 |
9 |
1 |
461 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
7754 |
91.2 |
-3.1 |
0.418 |
1 |
0 |
0 |
0.089 |
32 |
|
[C5P]F:1606 |
10 |
1 |
456 |
◊ |
F |
x,y,z |
1_555 |
15 |
8 |
7735 |
90.5 |
-2.9 |
0.445 |
2 |
0 |
0 |
0.089 |
33 |
|
[C5P]B:1603 |
10 |
1 |
456 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
7669 |
89.5 |
-3.0 |
0.422 |
1 |
0 |
0 |
0.089 |
34 |
|
[C5P]C:1601 |
9 |
1 |
458 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
7714 |
88.8 |
-3.0 |
0.408 |
1 |
0 |
0 |
0.089 |
35 |
|
[C5P]F:1604 |
9 |
1 |
459 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
7738 |
88.2 |
-2.9 |
0.423 |
1 |
0 |
0 |
0.089 |
36 |
|
[C5P]D:1605 |
9 |
1 |
457 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
7650 |
86.4 |
-2.9 |
0.435 |
1 |
0 |
0 |
0.089 |
Average: |
89.1 |
-3.0 |
0.425 |
1 |
0 |
0 |
0.089 |
11 |
37 |
|
[MG]A:1561 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
7714 |
37.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.158 |
38 |
|
[MG]F:1566 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
7735 |
37.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.158 |
39 |
|
[MG]C:1563 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
7669 |
37.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.158 |
40 |
|
[MG]D:1564 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
7738 |
36.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.158 |
41 |
|
[MG]E:1565 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
4 |
7650 |
36.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.158 |
42 |
|
[MG]B:1562 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
7754 |
36.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.158 |
Average: |
36.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.158 |
12 |
43 |
|
[MG]A:1572 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7714 |
32.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
44 |
|
[MG]A:1571 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7669 |
32.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
45 |
|
[MG]B:1573 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7754 |
32.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
46 |
|
[MG]D:1574 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7735 |
31.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
47 |
|
[MG]F:1576 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
7650 |
31.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.070 |
48 |
|
[MG]D:1575 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7738 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
31.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
13 |
49 |
|
F |
4 |
2 |
7735 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
2 |
7738 |
30.1 |
-0.0 |
0.618 |
1 |
1 |
0 |
0.000 |
50 |
|
B |
2 |
2 |
7754 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
2 |
7714 |
28.8 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
2 |
2 |
7714 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
4 |
2 |
7754 |
21.6 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
52 |
|
F |
2 |
2 |
7735 |
◊ |
D |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
4 |
2 |
7738 |
15.9 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
Average: |
24.1 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
14 |
53 |
|
[MG]B:1573 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
7669 |
29.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.076 |
54 |
|
[MG]F:1576 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
5 |
7735 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.076 |
55 |
|
[MG]D:1575 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
5 |
7650 |
28.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.076 |
56 |
|
[MG]A:1572 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
7754 |
28.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.076 |
57 |
|
[MG]D:1574 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
7738 |
28.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.076 |
58 |
|
[MG]A:1571 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
7714 |
27.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
28.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.076 |
15 |
59 |
|
[C5P]D:1605 |
3 |
1 |
457 |
◊ |
[MG]D:1575 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
60 |
|
[C5P]F:1606 |
3 |
1 |
456 |
◊ |
[MG]F:1576 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
61 |
|
[C5P]C:1601 |
3 |
1 |
458 |
◊ |
[MG]A:1571 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
25.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
16 |
62 |
|
[C5P]A:1602 |
3 |
1 |
461 |
◊ |
[MG]A:1572 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.084 |
63 |
|
[C5P]F:1604 |
3 |
1 |
459 |
◊ |
[MG]D:1574 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.084 |
64 |
|
[C5P]B:1603 |
3 |
1 |
456 |
◊ |
[MG]B:1573 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.084 |
65 |
|
[C5P]F:1604 |
1 |
1 |
459 |
◊ |
[MG]D:1564 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.084 |
66 |
|
[C5P]A:1602 |
1 |
1 |
461 |
◊ |
[MG]B:1562 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.084 |
67 |
|
[C5P]D:1605 |
1 |
1 |
457 |
◊ |
[MG]E:1565 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.084 |
68 |
|
[C5P]C:1601 |
1 |
1 |
458 |
◊ |
[MG]A:1561 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.084 |
69 |
|
[C5P]F:1606 |
1 |
1 |
456 |
◊ |
[MG]F:1566 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.084 |
70 |
|
[C5P]B:1603 |
1 |
1 |
456 |
◊ |
[MG]C:1563 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
12.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.084 |
17 |
71 |
|
[MG]E:1565 |
1 |
1 |
98 |
f |
[MG]D:1575 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.025 |
18 |
72 |
|
[MG]D:1574 |
1 |
1 |
98 |
f |
[MG]D:1564 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.024 |
19 |
73 |
|
[MG]F:1576 |
1 |
1 |
98 |
f |
[MG]F:1566 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.023 |
20 |
74 |
|
[MG]B:1562 |
1 |
1 |
98 |
f |
[MG]A:1572 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
21 |
75 |
|
[MG]C:1563 |
1 |
1 |
98 |
f |
[MG]B:1573 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
76 |
|
[MG]A:1571 |
1 |
1 |
98 |
f |
[MG]A:1561 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
77 |
|
[MG]D:1564 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7735 |
10.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
78 |
|
[MG]E:1565 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7738 |
9.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
79 |
|
[MG]A:1561 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7669 |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
80 |
|
[MG]B:1562 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7714 |
9.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
81 |
|
[MG]F:1566 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7650 |
8.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.016 |
82 |
|
[MG]C:1563 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7754 |
8.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
|