| ## |
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 |
|
B |
160 |
44 |
20458 |
◊ |
A |
x,y,z |
1_555 |
191 |
50 |
21521 |
1534.8 |
1.4 |
0.794 |
17 |
16 |
0 |
0.000 |
2 |
|
D |
157 |
40 |
20052 |
◊ |
C |
x,y,z |
1_555 |
181 |
55 |
20045 |
1516.4 |
-0.4 |
0.731 |
19 |
20 |
0 |
0.000 |
3 |
|
E |
147 |
42 |
20091 |
◊ |
D |
x,y,z |
1_555 |
179 |
51 |
20052 |
1511.1 |
2.5 |
0.802 |
24 |
16 |
0 |
0.000 |
4 |
|
C |
145 |
40 |
20045 |
◊ |
B |
x,y,z |
1_555 |
183 |
52 |
20458 |
1480.6 |
1.8 |
0.793 |
17 |
13 |
0 |
0.000 |
5 |
|
F |
139 |
37 |
20883 |
◊ |
E |
x,y,z |
1_555 |
183 |
52 |
20091 |
1471.4 |
3.0 |
0.800 |
18 |
17 |
0 |
0.000 |
| Average: |
1502.8 |
1.7 |
0.784 |
19 |
16 |
0 |
0.000 |
| 2 |
6 |
|
A |
174 |
43 |
21521 |
◊ |
A |
-x,y,-z |
2_555 |
173 |
43 |
21521 |
1531.1 |
-0.1 |
0.764 |
18 |
22 |
0 |
0.000 |
| 3 |
7 |
|
F |
42 |
13 |
20883 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
13 |
20045 |
439.2 |
-4.9 |
0.220 |
1 |
2 |
0 |
0.000 |
| 4 |
8 |
|
J |
36 |
2 |
773 |
◊ |
D |
x,y,z |
1_555 |
58 |
15 |
20052 |
397.0 |
-5.6 |
0.486 |
10 |
0 |
0 |
0.271 |
| 5 |
9 |
|
[AGS]F:6600 |
28 |
1 |
642 |
f |
F |
x,y,z |
1_555 |
55 |
16 |
20883 |
395.3 |
-5.9 |
0.392 |
10 |
0 |
0 |
0.303 |
10 |
|
[AGS]B:2600 |
29 |
1 |
638 |
f |
B |
x,y,z |
1_555 |
49 |
15 |
20458 |
379.8 |
-6.5 |
0.329 |
10 |
0 |
0 |
0.303 |
11 |
|
[AGS]E:5600 |
30 |
1 |
643 |
f |
E |
x,y,z |
1_555 |
54 |
16 |
20091 |
378.1 |
-8.0 |
0.242 |
12 |
0 |
0 |
0.303 |
12 |
|
[AGS]D:4600 |
29 |
1 |
640 |
f |
D |
x,y,z |
1_555 |
53 |
15 |
20052 |
375.8 |
-7.2 |
0.281 |
9 |
0 |
0 |
0.303 |
13 |
|
[AGS]A:1600 |
29 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
51 |
17 |
21521 |
368.0 |
-6.7 |
0.351 |
8 |
0 |
0 |
0.303 |
14 |
|
[AGS]C:3600 |
27 |
1 |
642 |
f |
C |
x,y,z |
1_555 |
48 |
16 |
20045 |
333.9 |
-6.8 |
0.368 |
8 |
0 |
0 |
0.303 |
| Average: |
371.8 |
-6.8 |
0.327 |
10 |
0 |
0 |
0.303 |
| 6 |
15 |
|
G |
36 |
2 |
768 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
21521 |
362.0 |
-3.8 |
0.536 |
4 |
0 |
0 |
0.022 |
| 7 |
16 |
|
M |
30 |
2 |
708 |
◊ |
B |
x,y,z |
1_555 |
50 |
15 |
20458 |
351.8 |
-3.3 |
0.551 |
5 |
0 |
0 |
0.017 |
| 8 |
17 |
|
H |
35 |
2 |
713 |
◊ |
C |
x,y,z |
1_555 |
44 |
12 |
20045 |
343.7 |
-1.4 |
0.650 |
6 |
0 |
0 |
0.000 |
| 9 |
18 |
|
L |
30 |
2 |
721 |
◊ |
F |
x,y,z |
1_555 |
47 |
13 |
20883 |
325.2 |
-2.2 |
0.529 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
K |
31 |
2 |
735 |
◊ |
E |
x,y,z |
1_555 |
50 |
12 |
20091 |
322.0 |
-3.9 |
0.424 |
4 |
0 |
0 |
0.016 |
| 11 |
20 |
|
F |
26 |
10 |
20883 |
◊ |
D |
x,y-1,z |
1_545 |
27 |
11 |
20052 |
255.7 |
-1.0 |
0.502 |
2 |
1 |
0 |
0.000 |
| 12 |
21 |
|
[FB]F:6701 |
21 |
1 |
450 |
f |
F |
x,y,z |
1_555 |
40 |
15 |
20883 |
253.3 |
-1.8 |
0.499 |
9 |
0 |
0 |
0.134 |
22 |
|
[FB]B:2701 |
21 |
1 |
449 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
20458 |
246.3 |
-2.1 |
0.495 |
7 |
0 |
0 |
0.134 |
23 |
|
[FB]D:4701 |
21 |
1 |
452 |
f |
D |
x,y,z |
1_555 |
38 |
14 |
20052 |
245.4 |
-2.8 |
0.402 |
5 |
0 |
0 |
0.134 |
24 |
|
[FB]E:5701 |
21 |
1 |
448 |
f |
E |
x,y,z |
1_555 |
41 |
13 |
20091 |
244.6 |
-1.9 |
0.484 |
6 |
0 |
0 |
0.134 |
25 |
|
[FB]C:3701 |
21 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
36 |
13 |
20045 |
243.0 |
-1.6 |
0.500 |
8 |
0 |
0 |
0.134 |
| Average: |
246.5 |
-2.0 |
0.476 |
7 |
0 |
0 |
0.134 |
| 13 |
26 |
|
C |
31 |
8 |
20045 |
◊ |
C |
-x,y,-z |
2_555 |
31 |
8 |
20045 |
238.6 |
-0.9 |
0.540 |
0 |
10 |
0 |
0.000 |
| 14 |
27 |
|
F |
28 |
10 |
20883 |
◊ |
A |
-x,y,-z |
2_555 |
27 |
8 |
21521 |
237.9 |
1.4 |
0.765 |
1 |
0 |
0 |
0.000 |
| 15 |
28 |
|
B |
26 |
8 |
20458 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
22 |
9 |
20883 |
223.0 |
1.3 |
0.703 |
2 |
0 |
0 |
0.000 |
| 16 |
29 |
|
A |
14 |
4 |
21521 |
◊ |
C |
-x,y-1,-z |
2_545 |
14 |
5 |
20045 |
120.8 |
0.5 |
0.688 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
E |
12 |
4 |
20091 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
21 |
6 |
20052 |
117.3 |
1.8 |
0.745 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[AGS]C:3600 |
10 |
1 |
642 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
20458 |
108.5 |
-3.1 |
0.447 |
2 |
0 |
0 |
0.000 |
32 |
|
[AGS]D:4600 |
12 |
1 |
640 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
20045 |
106.9 |
-2.8 |
0.526 |
1 |
0 |
0 |
0.000 |
33 |
|
[AGS]B:2600 |
10 |
1 |
638 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
21521 |
105.6 |
-2.8 |
0.438 |
1 |
0 |
0 |
0.000 |
34 |
|
[AGS]E:5600 |
9 |
1 |
643 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
20052 |
98.5 |
-3.6 |
0.391 |
1 |
0 |
0 |
0.000 |
35 |
|
[AGS]F:6600 |
8 |
1 |
642 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
20091 |
90.3 |
-3.0 |
0.420 |
1 |
0 |
0 |
0.000 |
| Average: |
101.9 |
-3.0 |
0.444 |
1 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[FB]C:3701 |
9 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
20458 |
98.2 |
3.0 |
0.891 |
1 |
0 |
0 |
0.000 |
37 |
|
[FB]B:2701 |
9 |
1 |
449 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
21521 |
95.8 |
3.0 |
0.884 |
1 |
0 |
0 |
0.000 |
38 |
|
[FB]F:6701 |
9 |
1 |
450 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
20091 |
95.0 |
1.9 |
0.730 |
1 |
0 |
0 |
0.000 |
39 |
|
[FB]E:5701 |
8 |
1 |
448 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
20052 |
93.8 |
2.7 |
0.872 |
1 |
0 |
0 |
0.000 |
40 |
|
[FB]D:4701 |
8 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
20045 |
88.0 |
1.3 |
0.697 |
0 |
0 |
0 |
0.000 |
| Average: |
94.1 |
2.4 |
0.815 |
1 |
0 |
0 |
0.000 |
| 20 |
41 |
|
B |
8 |
2 |
20458 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
11 |
4 |
20091 |
88.3 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
| 21 |
42 |
|
F |
11 |
5 |
20883 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
21521 |
69.0 |
0.7 |
0.741 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
G |
8 |
1 |
768 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
6 |
21521 |
67.1 |
0.7 |
0.708 |
1 |
0 |
0 |
0.000 |
| 23 |
44 |
|
F |
10 |
3 |
20883 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
5 |
20045 |
63.1 |
-0.3 |
0.563 |
0 |
0 |
0 |
0.000 |
| 24 |
45 |
|
A |
5 |
2 |
21521 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
8 |
3 |
20091 |
59.3 |
0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[FB]D:4701 |
6 |
1 |
452 |
f |
[AGS]D:4600 |
x,y,z |
1_555 |
5 |
1 |
640 |
47.3 |
0.3 |
0.635 |
1 |
0 |
0 |
0.004 |
47 |
|
[FB]E:5701 |
7 |
1 |
448 |
f |
[AGS]E:5600 |
x,y,z |
1_555 |
5 |
1 |
643 |
47.2 |
0.2 |
0.634 |
1 |
0 |
0 |
0.004 |
48 |
|
[FB]C:3701 |
7 |
1 |
450 |
f |
[AGS]C:3600 |
x,y,z |
1_555 |
5 |
1 |
642 |
45.8 |
0.2 |
0.625 |
1 |
0 |
0 |
0.004 |
49 |
|
[FB]F:6701 |
7 |
1 |
450 |
f |
[AGS]F:6600 |
x,y,z |
1_555 |
5 |
1 |
642 |
45.0 |
0.3 |
0.639 |
1 |
0 |
0 |
0.004 |
50 |
|
[FB]B:2701 |
7 |
1 |
449 |
f |
[AGS]B:2600 |
x,y,z |
1_555 |
6 |
1 |
638 |
44.4 |
0.4 |
0.650 |
1 |
0 |
0 |
0.004 |
| Average: |
45.9 |
0.3 |
0.637 |
1 |
0 |
0 |
0.004 |
| 26 |
51 |
|
[MG]A:1601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
21521 |
44.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.119 |
52 |
|
[MG]B:2601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20458 |
38.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.119 |
53 |
|
[MG]D:4601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
20052 |
37.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.119 |
54 |
|
[MG]F:6601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
20883 |
36.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.119 |
55 |
|
[MG]E:5601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
20091 |
35.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.119 |
56 |
|
[MG]C:3601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
20045 |
35.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
38.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.119 |
| 27 |
57 |
|
B |
6 |
2 |
20458 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
20052 |
37.7 |
0.9 |
0.834 |
1 |
1 |
0 |
0.000 |
| 28 |
58 |
|
[AGS]A:1600 |
4 |
1 |
642 |
f |
[MG]A:1601 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.099 |
59 |
|
[AGS]B:2600 |
4 |
1 |
638 |
f |
[MG]B:2601 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.099 |
60 |
|
[AGS]D:4600 |
4 |
1 |
640 |
f |
[MG]D:4601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
61 |
|
[AGS]E:5600 |
4 |
1 |
643 |
f |
[MG]E:5601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
62 |
|
[AGS]C:3600 |
3 |
1 |
642 |
f |
[MG]C:3601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
63 |
|
[AGS]F:6600 |
3 |
1 |
642 |
f |
[MG]F:6601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
31.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
| 29 |
64 |
|
L |
3 |
2 |
721 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
3 |
21521 |
23.3 |
-1.5 |
0.380 |
0 |
0 |
0 |
0.000 |
| 30 |
65 |
|
[FB]C:3701 |
4 |
1 |
450 |
f |
[MG]C:3601 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.071 |
66 |
|
[FB]D:4701 |
3 |
1 |
452 |
f |
[MG]D:4601 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.071 |
67 |
|
[FB]F:6701 |
3 |
1 |
450 |
f |
[MG]F:6601 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.071 |
68 |
|
[FB]E:5701 |
5 |
1 |
448 |
f |
[MG]E:5601 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.071 |
69 |
|
[FB]B:2701 |
3 |
1 |
449 |
f |
[MG]B:2601 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
18.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.071 |
| 31 |
70 |
|
C |
4 |
2 |
20045 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
20091 |
15.4 |
0.5 |
0.731 |
0 |
0 |
0 |
0.000 |
| 32 |
71 |
|
H |
2 |
1 |
713 |
◊ |
H |
-x,y,-z |
2_555 |
1 |
1 |
713 |
13.0 |
0.9 |
0.698 |
0 |
0 |
0 |
0.000 |
| 33 |
72 |
|
D |
1 |
1 |
20052 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
20045 |
12.6 |
0.3 |
0.859 |
0 |
0 |
0 |
0.000 |
| 34 |
73 |
|
A |
2 |
1 |
21521 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
20052 |
11.4 |
0.3 |
0.759 |
0 |
0 |
0 |
0.000 |
| 35 |
74 |
|
E |
1 |
1 |
20091 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
20458 |
9.7 |
-0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
| 36 |
75 |
|
F |
1 |
1 |
20883 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
20052 |
1.2 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
| 37 |
76 |
|
L |
1 |
1 |
721 |
◊ |
G |
-x,y,-z |
2_555 |
1 |
1 |
768 |
1.0 |
-0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
| 38 |
77 |
|
D |
1 |
1 |
20052 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
20458 |
0.5 |
0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
| 39 |
78 |
|
[MG]B:2601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21521 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
79 |
|
A |
1 |
1 |
21521 |
◊ |
D |
-x,y-1,-z |
2_545 |
1 |
1 |
20052 |
0.2 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
|