## |
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 |
|
F |
85 |
20 |
14519 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
84 |
20 |
14519 |
776.6 |
-0.4 |
0.810 |
12 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
63 |
21 |
13919 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
63 |
18 |
13910 |
564.2 |
-3.1 |
0.619 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
I |
59 |
17 |
13795 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
62 |
19 |
14018 |
559.4 |
-1.0 |
0.699 |
5 |
3 |
0 |
0.000 |
4 |
4 |
|
I |
57 |
17 |
13795 |
◊ |
H |
x,y,z |
1_555 |
52 |
15 |
14018 |
528.9 |
-1.9 |
0.733 |
9 |
7 |
0 |
0.000 |
5 |
|
B |
54 |
15 |
13583 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
8_456 |
55 |
13 |
14519 |
505.4 |
-6.1 |
0.341 |
3 |
2 |
0 |
0.000 |
6 |
|
C |
51 |
13 |
13733 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
13919 |
493.6 |
-5.3 |
0.408 |
3 |
1 |
0 |
0.000 |
7 |
|
B |
50 |
12 |
13583 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
50 |
14 |
13910 |
477.4 |
-5.6 |
0.344 |
4 |
2 |
0 |
0.000 |
Average: |
501.3 |
-4.7 |
0.457 |
5 |
3 |
0 |
0.000 |
5 |
8 |
|
G |
46 |
12 |
12591 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
8_456 |
47 |
13 |
13947 |
470.2 |
-4.9 |
0.480 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
F |
48 |
13 |
14519 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
13919 |
440.2 |
-6.2 |
0.236 |
2 |
0 |
0 |
0.000 |
10 |
|
I |
37 |
12 |
13795 |
◊ |
I |
x,-y+1,-z+1 |
4_566 |
37 |
12 |
13795 |
382.0 |
-5.9 |
0.231 |
4 |
0 |
0 |
0.000 |
Average: |
411.1 |
-6.1 |
0.234 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
H |
53 |
13 |
14018 |
◊ |
F |
x,y,z |
1_555 |
37 |
13 |
14519 |
407.3 |
-4.4 |
0.367 |
1 |
2 |
0 |
0.000 |
12 |
|
E |
49 |
12 |
13947 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
13733 |
362.8 |
-5.6 |
0.267 |
1 |
2 |
0 |
0.000 |
13 |
|
B |
44 |
13 |
13583 |
◊ |
I |
x-1/2,-y+1/2,-z+1 |
8_456 |
34 |
12 |
13795 |
360.4 |
-3.9 |
0.458 |
1 |
2 |
0 |
0.000 |
Average: |
376.8 |
-4.7 |
0.364 |
1 |
2 |
0 |
0.000 |
8 |
14 |
|
G |
36 |
11 |
12591 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
8_456 |
44 |
12 |
13919 |
384.7 |
-4.1 |
0.489 |
2 |
1 |
0 |
0.000 |
9 |
15 |
|
[ADP]A:400 |
27 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
13919 |
350.8 |
-4.5 |
0.593 |
9 |
0 |
0 |
0.046 |
16 |
|
[ADP]F:5400 |
27 |
1 |
555 |
f |
F |
x,y,z |
1_555 |
60 |
21 |
14519 |
347.7 |
-4.6 |
0.590 |
9 |
0 |
0 |
0.046 |
17 |
|
[ADP]H:7400 |
27 |
1 |
553 |
f |
H |
x,y,z |
1_555 |
56 |
21 |
14018 |
346.5 |
-5.0 |
0.596 |
8 |
0 |
0 |
0.046 |
18 |
|
[ADP]C:2400 |
27 |
1 |
546 |
f |
C |
x,y,z |
1_555 |
52 |
19 |
13733 |
345.2 |
-4.8 |
0.683 |
9 |
0 |
0 |
0.046 |
19 |
|
[ADP]E:4400 |
27 |
1 |
553 |
f |
E |
x,y,z |
1_555 |
57 |
21 |
13947 |
344.2 |
-4.2 |
0.660 |
7 |
0 |
0 |
0.046 |
20 |
|
[ADP]I:8400 |
27 |
1 |
549 |
f |
I |
x,y,z |
1_555 |
58 |
20 |
13795 |
343.2 |
-4.5 |
0.691 |
9 |
0 |
0 |
0.046 |
21 |
|
[ADP]D:3400 |
27 |
1 |
552 |
f |
D |
x,y,z |
1_555 |
52 |
20 |
13910 |
341.8 |
-4.6 |
0.580 |
9 |
0 |
0 |
0.046 |
22 |
|
[ADP]B:1400 |
25 |
1 |
556 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
13583 |
278.5 |
-4.5 |
0.571 |
8 |
0 |
0 |
0.046 |
23 |
|
[ADP]G:6400 |
17 |
1 |
551 |
f |
G |
x,y,z |
1_555 |
20 |
7 |
12591 |
174.0 |
-3.3 |
0.649 |
6 |
0 |
0 |
0.046 |
Average: |
319.1 |
-4.4 |
0.624 |
8 |
0 |
0 |
0.046 |
10 |
24 |
|
H |
38 |
13 |
14018 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
8_456 |
42 |
10 |
13947 |
332.1 |
-4.5 |
0.266 |
2 |
0 |
0 |
0.000 |
11 |
25 |
|
[GLA]F:5500 |
12 |
1 |
305 |
f |
F |
x,y,z |
1_555 |
36 |
15 |
14519 |
205.3 |
3.0 |
0.498 |
5 |
0 |
0 |
0.000 |
26 |
|
[GLA]G:6500 |
12 |
1 |
304 |
f |
G |
x,y,z |
1_555 |
39 |
16 |
12591 |
204.7 |
2.2 |
0.530 |
5 |
0 |
0 |
0.000 |
27 |
|
[GLA]C:2500 |
12 |
1 |
300 |
f |
C |
x,y,z |
1_555 |
36 |
14 |
13733 |
201.2 |
2.8 |
0.552 |
5 |
0 |
0 |
0.000 |
28 |
|
[GLA]B:1500 |
12 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
13583 |
200.0 |
2.8 |
0.542 |
4 |
0 |
0 |
0.000 |
29 |
|
[GLA]E:4500 |
12 |
1 |
304 |
f |
E |
x,y,z |
1_555 |
36 |
15 |
13947 |
199.3 |
2.7 |
0.504 |
5 |
0 |
0 |
0.000 |
30 |
|
[GLA]D:3500 |
12 |
1 |
300 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
13910 |
199.0 |
2.9 |
0.472 |
5 |
0 |
0 |
0.000 |
31 |
|
[GLA]H:7500 |
12 |
1 |
300 |
f |
H |
x,y,z |
1_555 |
36 |
13 |
14018 |
198.2 |
2.6 |
0.491 |
5 |
0 |
0 |
0.000 |
32 |
|
[GLA]A:500 |
12 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
13919 |
198.2 |
2.8 |
0.512 |
5 |
0 |
0 |
0.000 |
33 |
|
[GLA]I:8500 |
12 |
1 |
298 |
f |
I |
x,y,z |
1_555 |
34 |
13 |
13795 |
196.7 |
2.8 |
0.493 |
5 |
0 |
0 |
0.000 |
Average: |
200.3 |
2.7 |
0.510 |
5 |
0 |
0 |
0.000 |
12 |
34 |
|
C |
22 |
6 |
13733 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
15 |
5 |
13910 |
170.1 |
0.7 |
0.776 |
2 |
0 |
0 |
0.000 |
13 |
35 |
|
H |
14 |
5 |
14018 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
15 |
5 |
14519 |
142.3 |
2.6 |
0.877 |
3 |
3 |
0 |
0.000 |
14 |
36 |
|
H |
19 |
6 |
14018 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
12 |
3 |
13910 |
116.7 |
-1.5 |
0.386 |
0 |
0 |
0 |
0.000 |
15 |
37 |
|
B |
8 |
2 |
13583 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13919 |
59.4 |
-0.0 |
0.625 |
1 |
0 |
0 |
0.000 |
16 |
38 |
|
I |
6 |
2 |
13795 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
13795 |
53.5 |
-0.6 |
0.470 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
[ADP]F:5400 |
4 |
1 |
555 |
f |
[MG]F:5600 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.038 |
40 |
|
[ADP]I:8400 |
4 |
1 |
549 |
f |
[MG]I:8600 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.038 |
41 |
|
[ADP]H:7400 |
4 |
1 |
553 |
f |
[MG]H:7600 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
|
[ADP]G:6400 |
4 |
1 |
551 |
f |
[MG]G:6600 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.038 |
43 |
|
[ADP]A:400 |
4 |
1 |
558 |
f |
[MG]A:600 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.038 |
44 |
|
[ADP]C:2400 |
5 |
1 |
546 |
f |
[MG]C:2600 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.038 |
45 |
|
[ADP]B:1400 |
5 |
1 |
556 |
f |
[MG]B:1600 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
|
[ADP]E:4400 |
3 |
1 |
553 |
f |
[MG]E:4600 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.038 |
47 |
|
[ADP]D:3400 |
3 |
1 |
552 |
f |
[MG]D:3600 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
39.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.038 |
18 |
48 |
|
[MG]G:6600 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
12591 |
38.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
49 |
|
[MG]C:2600 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13733 |
37.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
50 |
|
[MG]D:3600 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
13910 |
36.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
51 |
|
[MG]B:1600 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13583 |
36.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.027 |
52 |
|
[MG]E:4600 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
13947 |
36.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.027 |
53 |
|
[MG]A:600 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13919 |
34.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
54 |
|
[MG]F:5600 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
14519 |
34.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
55 |
|
[MG]H:7600 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
14018 |
33.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.027 |
56 |
|
[MG]I:8600 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
13795 |
33.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
35.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
19 |
57 |
|
I |
5 |
3 |
13795 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
14519 |
20.2 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
58 |
|
G |
5 |
3 |
12591 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
8_456 |
4 |
3 |
13733 |
12.1 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
20 |
59 |
|
G |
1 |
1 |
12591 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
8_456 |
1 |
1 |
14519 |
6.4 |
0.2 |
0.836 |
0 |
0 |
0 |
0.000 |
21 |
60 |
|
[MG]D:3600 |
1 |
1 |
98 |
f |
[GLA]D:3500 |
x,y,z |
1_555 |
1 |
1 |
300 |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
61 |
|
[MG]I:8600 |
1 |
1 |
98 |
f |
[GLA]I:8500 |
x,y,z |
1_555 |
1 |
1 |
298 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
62 |
|
[MG]F:5600 |
1 |
1 |
98 |
f |
[GLA]F:5500 |
x,y,z |
1_555 |
1 |
1 |
305 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
63 |
|
[MG]E:4600 |
1 |
1 |
98 |
f |
[GLA]E:4500 |
x,y,z |
1_555 |
1 |
1 |
304 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|