## |
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 |
159 |
43 |
20248 |
◊ |
A |
x,y,z |
1_555 |
191 |
50 |
20990 |
1580.7 |
-2.8 |
0.670 |
13 |
15 |
0 |
0.203 |
2 |
|
F |
140 |
37 |
20589 |
◊ |
E |
x,y,z |
1_555 |
196 |
56 |
20493 |
1486.3 |
2.2 |
0.824 |
15 |
15 |
0 |
0.203 |
3 |
|
E |
153 |
42 |
20493 |
◊ |
D |
x,y,z |
1_555 |
193 |
52 |
20315 |
1475.9 |
1.9 |
0.825 |
11 |
8 |
0 |
0.203 |
4 |
|
D |
140 |
38 |
20315 |
◊ |
C |
x,y,z |
1_555 |
186 |
50 |
20210 |
1474.2 |
0.4 |
0.776 |
15 |
12 |
0 |
0.203 |
5 |
|
C |
151 |
39 |
20210 |
◊ |
B |
x,y,z |
1_555 |
187 |
55 |
20248 |
1471.0 |
-3.8 |
0.601 |
8 |
14 |
0 |
0.203 |
Average: |
1497.6 |
-0.4 |
0.739 |
12 |
13 |
0 |
0.203 |
2 |
6 |
|
A |
148 |
40 |
20990 |
◊ |
A |
-x,y,-z |
2_555 |
148 |
40 |
20990 |
1304.7 |
-0.8 |
0.737 |
4 |
0 |
0 |
0.000 |
3 |
7 |
|
[AGS]F:6600 |
30 |
1 |
643 |
◊ |
F |
x,y,z |
1_555 |
56 |
17 |
20589 |
404.8 |
-5.5 |
0.499 |
14 |
0 |
0 |
0.336 |
8 |
|
[AGS]A:1600 |
30 |
1 |
644 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
20990 |
399.3 |
-7.4 |
0.355 |
8 |
0 |
0 |
0.336 |
9 |
|
[AGS]C:3600 |
29 |
1 |
643 |
◊ |
C |
x,y,z |
1_555 |
54 |
14 |
20210 |
382.6 |
-6.0 |
0.400 |
10 |
0 |
0 |
0.336 |
10 |
|
[AGS]D:4600 |
29 |
1 |
640 |
◊ |
D |
x,y,z |
1_555 |
55 |
15 |
20315 |
373.6 |
-7.2 |
0.333 |
9 |
0 |
0 |
0.336 |
11 |
|
[AGS]E:5600 |
28 |
1 |
653 |
◊ |
E |
x,y,z |
1_555 |
50 |
14 |
20493 |
371.6 |
-7.4 |
0.276 |
6 |
0 |
0 |
0.336 |
12 |
|
[AGS]B:2600 |
29 |
1 |
647 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
20248 |
368.7 |
-5.5 |
0.506 |
11 |
0 |
0 |
0.336 |
Average: |
383.4 |
-6.5 |
0.395 |
10 |
0 |
0 |
0.336 |
4 |
13 |
|
F |
39 |
13 |
20589 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
43 |
13 |
20210 |
380.5 |
-5.0 |
0.197 |
1 |
4 |
0 |
0.000 |
5 |
14 |
|
J |
32 |
2 |
780 |
◊ |
D |
x,y,z |
1_555 |
57 |
15 |
20315 |
379.7 |
-5.9 |
0.449 |
7 |
0 |
0 |
0.369 |
6 |
15 |
|
M |
33 |
2 |
742 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
20248 |
365.8 |
-2.9 |
0.648 |
4 |
0 |
0 |
0.025 |
7 |
16 |
|
G |
36 |
2 |
786 |
◊ |
A |
x,y,z |
1_555 |
44 |
17 |
20990 |
337.3 |
-4.8 |
0.385 |
3 |
0 |
0 |
0.371 |
8 |
17 |
|
H |
33 |
2 |
692 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
20210 |
315.8 |
-2.9 |
0.552 |
6 |
0 |
0 |
0.027 |
9 |
18 |
|
K |
29 |
2 |
737 |
◊ |
E |
x,y,z |
1_555 |
47 |
13 |
20493 |
295.8 |
-3.8 |
0.394 |
2 |
0 |
0 |
0.026 |
10 |
19 |
|
L |
26 |
2 |
668 |
◊ |
F |
x,y,z |
1_555 |
42 |
12 |
20589 |
287.4 |
-0.8 |
0.489 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
26 |
6 |
20210 |
◊ |
C |
-x,y,-z |
2_555 |
27 |
6 |
20210 |
247.2 |
-1.3 |
0.480 |
2 |
6 |
0 |
0.000 |
12 |
21 |
|
F |
22 |
8 |
20589 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
10 |
20315 |
236.6 |
-1.0 |
0.525 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[BCM]C:3701 |
19 |
1 |
423 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
20210 |
235.5 |
-2.4 |
0.413 |
7 |
0 |
0 |
0.036 |
14 |
23 |
|
[BCM]E:5701 |
19 |
1 |
425 |
f |
E |
x,y,z |
1_555 |
39 |
13 |
20493 |
232.1 |
-2.6 |
0.344 |
3 |
0 |
0 |
0.063 |
24 |
|
[BCM]F:6701 |
19 |
1 |
424 |
f |
F |
x,y,z |
1_555 |
33 |
13 |
20589 |
230.9 |
-1.6 |
0.454 |
6 |
0 |
0 |
0.063 |
25 |
|
[BCM]B:2701 |
19 |
1 |
421 |
f |
B |
x,y,z |
1_555 |
42 |
15 |
20248 |
228.2 |
-1.6 |
0.458 |
5 |
0 |
0 |
0.063 |
Average: |
230.4 |
-2.0 |
0.419 |
5 |
0 |
0 |
0.063 |
15 |
26 |
|
[BCM]D:4701 |
18 |
1 |
424 |
f |
D |
x,y,z |
1_555 |
39 |
13 |
20315 |
223.2 |
-3.1 |
0.358 |
7 |
0 |
0 |
0.252 |
16 |
27 |
|
F |
29 |
9 |
20589 |
◊ |
A |
-x,y,-z |
2_555 |
25 |
7 |
20990 |
217.6 |
2.5 |
0.847 |
2 |
1 |
0 |
0.000 |
17 |
28 |
|
B |
19 |
7 |
20248 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
19 |
7 |
20589 |
160.3 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
A |
19 |
6 |
20990 |
◊ |
C |
-x,y-1,-z |
2_545 |
16 |
5 |
20210 |
127.3 |
1.0 |
0.745 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[AGS]D:4600 |
13 |
1 |
640 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
20210 |
118.3 |
-1.6 |
0.602 |
2 |
0 |
0 |
0.255 |
31 |
|
[AGS]E:5600 |
12 |
1 |
653 |
cf |
D |
x,y,z |
1_555 |
15 |
4 |
20315 |
113.9 |
-2.1 |
0.589 |
1 |
0 |
0 |
0.255 |
32 |
|
[AGS]B:2600 |
9 |
1 |
647 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
20990 |
108.2 |
-3.3 |
0.388 |
2 |
0 |
0 |
0.255 |
33 |
|
[AGS]C:3600 |
10 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
20248 |
89.3 |
-2.2 |
0.523 |
1 |
0 |
0 |
0.255 |
34 |
|
[AGS]F:6600 |
10 |
1 |
643 |
f |
E |
x,y,z |
1_555 |
13 |
3 |
20493 |
76.4 |
-2.8 |
0.484 |
1 |
0 |
0 |
0.255 |
Average: |
101.2 |
-2.4 |
0.517 |
1 |
0 |
0 |
0.255 |
20 |
35 |
|
E |
10 |
3 |
20493 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
14 |
3 |
20315 |
105.7 |
1.8 |
0.824 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[BCM]B:2701 |
6 |
1 |
421 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
20990 |
84.2 |
2.6 |
0.805 |
0 |
0 |
0 |
0.000 |
37 |
|
[BCM]E:5701 |
9 |
1 |
425 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
20315 |
83.2 |
1.7 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
83.7 |
2.1 |
0.772 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
[BCM]D:4701 |
6 |
1 |
424 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
20210 |
84.1 |
2.7 |
0.842 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
[BCM]F:6701 |
6 |
1 |
424 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
20493 |
81.1 |
1.9 |
0.658 |
0 |
0 |
0 |
0.000 |
40 |
|
[BCM]C:3701 |
5 |
1 |
423 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
20248 |
68.6 |
2.3 |
0.799 |
0 |
0 |
0 |
0.000 |
Average: |
74.8 |
2.1 |
0.729 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
A |
7 |
3 |
20990 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
9 |
4 |
20493 |
61.9 |
1.1 |
0.813 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[BCM]E:5701 |
10 |
1 |
425 |
◊ |
[AGS]E:5600 |
x,y,z |
1_555 |
5 |
1 |
653 |
54.0 |
-0.1 |
0.556 |
1 |
0 |
0 |
0.003 |
26 |
43 |
|
[BCM]B:2701 |
7 |
1 |
421 |
◊ |
[AGS]B:2600 |
x,y,z |
1_555 |
5 |
1 |
647 |
51.0 |
0.2 |
0.602 |
1 |
0 |
0 |
0.001 |
27 |
44 |
|
[BCM]D:4701 |
6 |
1 |
424 |
◊ |
[AGS]D:4600 |
x,y,z |
1_555 |
4 |
1 |
640 |
50.5 |
0.7 |
0.626 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[BCM]F:6701 |
9 |
1 |
424 |
◊ |
[AGS]F:6600 |
x,y,z |
1_555 |
5 |
1 |
643 |
49.5 |
0.4 |
0.608 |
1 |
0 |
0 |
0.000 |
46 |
|
[BCM]C:3701 |
8 |
1 |
423 |
◊ |
[AGS]C:3600 |
x,y,z |
1_555 |
5 |
1 |
643 |
47.9 |
0.5 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
48.7 |
0.5 |
0.614 |
1 |
0 |
0 |
0.000 |
29 |
47 |
|
G |
6 |
1 |
786 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
5 |
20990 |
47.2 |
0.7 |
0.725 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[MG]A:1601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
20990 |
46.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.374 |
49 |
|
[MG]B:2601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20248 |
39.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.374 |
50 |
|
[MG]F:6601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
20589 |
37.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.374 |
51 |
|
[MG]D:4601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
20315 |
34.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.374 |
52 |
|
[MG]E:5601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
20493 |
30.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.374 |
Average: |
37.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.374 |
31 |
53 |
|
B |
6 |
2 |
20248 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
20493 |
43.8 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
32 |
54 |
|
[MG]C:3601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20210 |
36.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
55 |
|
[AGS]A:1600 |
4 |
1 |
644 |
◊ |
[MG]A:1601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.086 |
56 |
|
[AGS]D:4600 |
4 |
1 |
640 |
◊ |
[MG]D:4601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.086 |
57 |
|
[AGS]F:6600 |
4 |
1 |
643 |
◊ |
[MG]F:6601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.086 |
58 |
|
[AGS]B:2600 |
3 |
1 |
647 |
◊ |
[MG]B:2601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.086 |
59 |
|
[AGS]E:5600 |
3 |
1 |
653 |
◊ |
[MG]E:5601 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
28.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.086 |
34 |
60 |
|
F |
5 |
3 |
20589 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
20990 |
30.6 |
0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
[AGS]C:3600 |
3 |
1 |
643 |
◊ |
[MG]C:3601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
62 |
|
H |
4 |
2 |
692 |
◊ |
H |
-x,y,-z |
2_555 |
4 |
2 |
692 |
25.2 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
37 |
63 |
|
[BCM]C:3701 |
3 |
1 |
423 |
f |
[MG]C:3601 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.096 |
64 |
|
[BCM]B:2701 |
5 |
1 |
421 |
f |
[MG]B:2601 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.096 |
65 |
|
[BCM]E:5701 |
6 |
1 |
425 |
f |
[MG]E:5601 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.096 |
66 |
|
[BCM]D:4701 |
5 |
1 |
424 |
f |
[MG]D:4601 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.096 |
67 |
|
[BCM]F:6701 |
3 |
1 |
424 |
f |
[MG]F:6601 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
20.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.096 |
38 |
68 |
|
F |
4 |
2 |
20589 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
20210 |
24.1 |
-0.4 |
0.467 |
0 |
0 |
0 |
0.000 |
39 |
69 |
|
[MG]E:5601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20315 |
17.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
40 |
70 |
|
L |
2 |
1 |
668 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
20990 |
14.5 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
C |
1 |
1 |
20210 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
20493 |
6.3 |
0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
B |
2 |
2 |
20248 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
20315 |
4.4 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
43 |
73 |
|
E |
1 |
1 |
20493 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
20248 |
2.2 |
-0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
|