## |
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 |
108 |
27 |
13883 |
◊ |
A |
x,y,z |
1_555 |
108 |
26 |
13907 |
906.9 |
-5.9 |
0.380 |
13 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
70 |
17 |
13883 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
77 |
30 |
13907 |
701.1 |
-2.4 |
0.524 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
66 |
19 |
13907 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
66 |
19 |
13907 |
677.5 |
-5.7 |
0.267 |
8 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
58 |
15 |
13883 |
◊ |
B |
-x,y,-z+2 |
2_557 |
58 |
15 |
13883 |
537.4 |
-7.9 |
0.109 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
28 |
6 |
13907 |
◊ |
A |
-x,y,-z+3 |
2_558 |
28 |
6 |
13907 |
280.8 |
-2.9 |
0.326 |
2 |
2 |
0 |
0.000 |
6 |
6 |
|
B |
25 |
5 |
13883 |
◊ |
B |
-x,y,-z+3 |
2_558 |
25 |
5 |
13883 |
227.9 |
-1.8 |
0.422 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[GOL]B:401 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
13883 |
142.6 |
-0.5 |
0.501 |
3 |
0 |
0 |
0.026 |
8 |
8 |
|
[PEG]B:402 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
13883 |
136.5 |
2.0 |
0.274 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[TRS]B:420 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
13883 |
131.8 |
3.2 |
0.184 |
7 |
0 |
0 |
0.000 |
10 |
10 |
|
[GOL]B:403 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
13883 |
127.6 |
-0.9 |
0.535 |
3 |
0 |
0 |
0.031 |
11 |
11 |
|
[TRS]B:418 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
13883 |
119.4 |
2.7 |
0.092 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[GOL]B:404 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
13883 |
104.9 |
-1.0 |
0.410 |
2 |
0 |
0 |
0.026 |
13 |
13 |
|
[GOL]A:401 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
13883 |
93.7 |
-0.8 |
0.455 |
2 |
0 |
0 |
0.023 |
14 |
14 |
|
[IOD]A:409 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13907 |
85.5 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.003 |
15 |
15 |
|
[IOD]A:403 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13907 |
84.3 |
-0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
16 |
|
[IOD]B:406 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13883 |
82.8 |
0.0 |
0.741 |
0 |
0 |
0 |
0.000 |
Average: |
83.5 |
-0.0 |
0.738 |
0 |
0 |
0 |
0.001 |
16 |
17 |
|
[TRS]B:419 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13883 |
83.7 |
1.5 |
0.749 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[IOD]B:411 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13883 |
80.5 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[IOD]A:412 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13907 |
75.0 |
-0.4 |
0.612 |
0 |
0 |
0 |
0.010 |
19 |
20 |
|
[IOD]A:413 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13907 |
74.9 |
-0.6 |
0.592 |
0 |
0 |
0 |
0.013 |
20 |
21 |
|
[IOD]B:408 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13883 |
74.6 |
-0.6 |
0.577 |
0 |
0 |
0 |
0.009 |
22 |
|
[IOD]A:414 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
13907 |
74.0 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.009 |
Average: |
74.3 |
-0.5 |
0.609 |
0 |
0 |
0 |
0.009 |
21 |
23 |
|
[IOD]B:407 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13883 |
74.3 |
-0.5 |
0.602 |
0 |
0 |
0 |
0.011 |
24 |
|
[IOD]A:417 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13907 |
71.9 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.011 |
Average: |
73.1 |
-0.5 |
0.606 |
0 |
0 |
0 |
0.011 |
22 |
25 |
|
[IOD]B:414 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13883 |
73.6 |
-0.4 |
0.678 |
0 |
0 |
0 |
0.007 |
26 |
|
[IOD]A:410 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
13907 |
68.5 |
-0.3 |
0.692 |
0 |
0 |
0 |
0.007 |
Average: |
71.0 |
-0.4 |
0.685 |
0 |
0 |
0 |
0.007 |
23 |
27 |
|
[IOD]A:402 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13907 |
71.5 |
-0.1 |
0.740 |
0 |
0 |
0 |
0.001 |
24 |
28 |
|
[IOD]B:409 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13883 |
68.4 |
-0.0 |
0.739 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]A:416 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13907 |
66.9 |
-0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
67.7 |
-0.0 |
0.740 |
0 |
0 |
0 |
0.001 |
25 |
30 |
|
[IOD]A:406 |
1 |
1 |
144 |
f |
A |
-x+1,y,-z+3 |
2_658 |
12 |
5 |
13907 |
66.3 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.008 |
26 |
31 |
|
[IOD]B:416 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13883 |
65.7 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.002 |
32 |
|
[IOD]A:404 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13907 |
65.5 |
-0.0 |
0.747 |
0 |
0 |
0 |
0.002 |
Average: |
65.6 |
-0.1 |
0.730 |
0 |
0 |
0 |
0.002 |
27 |
33 |
|
[GOL]A:401 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
13907 |
65.7 |
1.3 |
0.759 |
5 |
0 |
0 |
0.000 |
28 |
34 |
|
[IOD]A:411 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13907 |
65.4 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.002 |
29 |
35 |
|
[IOD]A:415 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13907 |
63.1 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.002 |
30 |
36 |
|
[IOD]B:415 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
13883 |
60.2 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[IOD]B:417 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13883 |
59.4 |
0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
38 |
|
[IOD]B:410 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13907 |
58.7 |
-0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
59.0 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[IOD]B:412 |
1 |
1 |
144 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
11 |
3 |
13907 |
58.7 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[IOD]B:413 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13883 |
58.5 |
-0.6 |
0.493 |
0 |
0 |
0 |
0.008 |
34 |
41 |
|
[IOD]A:407 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13907 |
58.1 |
-0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[IOD]B:412 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
13883 |
57.5 |
-0.4 |
0.613 |
0 |
0 |
0 |
0.006 |
36 |
43 |
|
[IOD]B:410 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13883 |
55.3 |
-0.6 |
0.479 |
0 |
0 |
0 |
0.011 |
44 |
|
[IOD]B:417 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13907 |
53.9 |
-0.5 |
0.553 |
0 |
0 |
0 |
0.011 |
Average: |
54.6 |
-0.5 |
0.516 |
0 |
0 |
0 |
0.011 |
37 |
45 |
|
B |
9 |
5 |
13883 |
◊ |
[IOD]A:408 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
144 |
53.2 |
0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
B |
9 |
5 |
13883 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
10 |
4 |
13907 |
53.0 |
0.9 |
0.756 |
2 |
3 |
0 |
0.000 |
39 |
47 |
|
B |
12 |
4 |
13883 |
◊ |
[IOD]A:402 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
144 |
52.0 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[IOD]A:405 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
13907 |
51.7 |
0.0 |
0.761 |
0 |
0 |
0 |
0.000 |
49 |
|
[IOD]B:405 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13883 |
45.1 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
48.4 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[IOD]B:405 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13907 |
51.3 |
-0.4 |
0.619 |
0 |
0 |
0 |
0.008 |
51 |
|
[IOD]A:405 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
13883 |
49.9 |
-0.2 |
0.677 |
0 |
0 |
0 |
0.008 |
Average: |
50.6 |
-0.3 |
0.648 |
0 |
0 |
0 |
0.008 |
42 |
52 |
|
[IOD]A:406 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13907 |
50.1 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[IOD]A:404 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
7 |
3 |
13907 |
44.0 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
54 |
|
[IOD]B:416 |
1 |
1 |
144 |
◊ |
B |
-x,y,-z+2 |
2_557 |
9 |
3 |
13883 |
40.1 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
42.1 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
A |
5 |
2 |
13907 |
x |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
7 |
2 |
13907 |
40.3 |
-0.8 |
0.277 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
A |
4 |
2 |
13907 |
◊ |
[IOD]A:410 |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
144 |
35.5 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[IOD]A:415 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
13883 |
35.1 |
0.9 |
0.955 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[IOD]A:407 |
1 |
1 |
144 |
◊ |
[IOD]A:407 |
-x,y,-z+3 |
2_558 |
1 |
1 |
144 |
34.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
[PEG]B:402 |
2 |
1 |
262 |
f |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
4 |
13907 |
33.8 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[IOD]A:407 |
1 |
1 |
144 |
f |
A |
-x,y,-z+3 |
2_558 |
6 |
3 |
13907 |
32.5 |
-0.3 |
0.630 |
0 |
0 |
0 |
0.007 |
50 |
61 |
|
[TRS]B:419 |
3 |
1 |
256 |
f |
[TRS]B:418 |
x,y,z |
1_555 |
2 |
1 |
254 |
32.3 |
1.5 |
0.429 |
0 |
0 |
0 |
0.000 |
51 |
62 |
|
[IOD]A:408 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
13907 |
31.6 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.009 |
52 |
63 |
|
[IOD]A:405 |
1 |
1 |
144 |
f |
[GOL]A:401 |
x,y,z |
1_555 |
2 |
1 |
220 |
30.3 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.006 |
53 |
64 |
|
[IOD]B:413 |
1 |
1 |
144 |
◊ |
[IOD]B:413 |
-x,y,-z+2 |
2_557 |
1 |
1 |
144 |
28.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
65 |
|
[GOL]B:403 |
3 |
1 |
215 |
f |
[GOL]B:401 |
x,y,z |
1_555 |
3 |
1 |
220 |
27.5 |
0.3 |
0.601 |
2 |
0 |
0 |
0.009 |
55 |
66 |
|
B |
4 |
1 |
13883 |
◊ |
[IOD]A:411 |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
144 |
25.7 |
-0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[IOD]B:415 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
13907 |
25.2 |
-0.3 |
0.558 |
0 |
0 |
0 |
0.007 |
57 |
68 |
|
[IOD]B:415 |
1 |
1 |
144 |
f |
[IOD]B:405 |
x,y,z |
1_555 |
1 |
1 |
144 |
25.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[IOD]B:413 |
1 |
1 |
144 |
◊ |
B |
-x,y,-z+2 |
2_557 |
4 |
1 |
13883 |
23.1 |
-0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[IOD]B:416 |
1 |
1 |
144 |
◊ |
[IOD]B:416 |
-x,y,-z+2 |
2_557 |
1 |
1 |
144 |
22.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[IOD]A:404 |
1 |
1 |
144 |
◊ |
[IOD]A:404 |
-x+1,y,-z+3 |
2_658 |
1 |
1 |
144 |
18.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
B |
1 |
1 |
13883 |
◊ |
A |
-x,y,-z+3 |
2_558 |
2 |
1 |
13907 |
17.8 |
-0.2 |
0.327 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[IOD]A:412 |
1 |
1 |
144 |
◊ |
A |
-x,y,-z+3 |
2_558 |
3 |
1 |
13907 |
16.8 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[IOD]B:411 |
1 |
1 |
144 |
◊ |
B |
-x,y,-z+3 |
2_558 |
2 |
1 |
13883 |
16.5 |
0.5 |
0.949 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[IOD]B:415 |
1 |
1 |
144 |
f |
[IOD]A:415 |
x,y,z |
1_555 |
1 |
1 |
144 |
15.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
76 |
|
[IOD]B:406 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13907 |
13.0 |
0.5 |
0.975 |
0 |
0 |
0 |
0.000 |
77 |
|
[IOD]A:403 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13883 |
11.1 |
0.4 |
0.966 |
0 |
0 |
0 |
0.000 |
Average: |
12.1 |
0.5 |
0.970 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
[IOD]B:405 |
1 |
1 |
144 |
f |
[IOD]A:415 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
79 |
|
B |
2 |
1 |
13883 |
◊ |
[IOD]B:410 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
144 |
12.2 |
0.4 |
0.932 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
[IOD]B:414 |
1 |
1 |
144 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
13907 |
9.3 |
-0.3 |
0.585 |
0 |
0 |
0 |
0.000 |
69 |
81 |
|
[TRS]B:420 |
1 |
1 |
256 |
f |
[IOD]B:408 |
x,y,z |
1_555 |
1 |
1 |
144 |
3.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|