| ## |
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 |
338 |
95 |
23640 |
◊ |
E |
x,y,z |
1_555 |
336 |
91 |
23969 |
3224.6 |
-43.1 |
0.008 |
25 |
8 |
0 |
0.499 |
2 |
|
D |
328 |
92 |
23617 |
◊ |
C |
x,y,z |
1_555 |
335 |
88 |
23894 |
3215.1 |
-43.4 |
0.008 |
25 |
8 |
0 |
0.499 |
3 |
|
B |
335 |
94 |
23555 |
◊ |
A |
x,y,z |
1_555 |
337 |
90 |
23890 |
3210.1 |
-43.1 |
0.007 |
26 |
9 |
0 |
0.499 |
4 |
|
H |
335 |
94 |
23700 |
◊ |
G |
x,y,z |
1_555 |
330 |
89 |
23934 |
3207.2 |
-42.8 |
0.007 |
25 |
8 |
0 |
0.499 |
| Average: |
3214.3 |
-43.1 |
0.008 |
25 |
8 |
0 |
0.499 |
| 2 |
5 |
|
[NDP]H:704 |
45 |
1 |
905 |
f |
H |
x,y,z |
1_555 |
80 |
31 |
23700 |
577.2 |
-5.1 |
0.400 |
19 |
0 |
0 |
0.258 |
6 |
|
[NDP]B:704 |
45 |
1 |
901 |
f |
B |
x,y,z |
1_555 |
75 |
30 |
23555 |
574.0 |
-5.0 |
0.431 |
20 |
0 |
0 |
0.258 |
7 |
|
[NDP]F:704 |
44 |
1 |
902 |
f |
F |
x,y,z |
1_555 |
73 |
30 |
23640 |
571.0 |
-5.5 |
0.396 |
18 |
0 |
0 |
0.258 |
8 |
|
[NDP]C:704 |
45 |
1 |
897 |
f |
C |
x,y,z |
1_555 |
79 |
32 |
23894 |
570.9 |
-4.9 |
0.407 |
22 |
0 |
0 |
0.258 |
9 |
|
[NDP]G:704 |
45 |
1 |
898 |
f |
G |
x,y,z |
1_555 |
79 |
32 |
23934 |
570.4 |
-5.0 |
0.391 |
23 |
0 |
0 |
0.258 |
10 |
|
[NDP]E:704 |
45 |
1 |
899 |
f |
E |
x,y,z |
1_555 |
82 |
32 |
23969 |
569.5 |
-5.1 |
0.393 |
21 |
0 |
0 |
0.258 |
11 |
|
[NDP]A:704 |
46 |
1 |
897 |
f |
A |
x,y,z |
1_555 |
81 |
32 |
23890 |
567.8 |
-5.0 |
0.401 |
23 |
0 |
0 |
0.258 |
12 |
|
[NDP]D:704 |
45 |
1 |
901 |
f |
D |
x,y,z |
1_555 |
72 |
30 |
23617 |
567.3 |
-5.0 |
0.417 |
17 |
0 |
0 |
0.258 |
| Average: |
571.0 |
-5.1 |
0.405 |
20 |
0 |
0 |
0.258 |
| 3 |
13 |
|
G |
68 |
23 |
23934 |
◊ |
D |
x,y,z |
1_555 |
57 |
20 |
23617 |
561.1 |
-4.7 |
0.370 |
2 |
2 |
0 |
0.000 |
14 |
|
E |
68 |
22 |
23969 |
◊ |
B |
x,y-1,z |
1_545 |
60 |
20 |
23555 |
555.4 |
-4.2 |
0.412 |
2 |
3 |
0 |
0.000 |
15 |
|
H |
58 |
20 |
23700 |
◊ |
C |
x,y-1,z |
1_545 |
65 |
21 |
23894 |
549.1 |
-2.8 |
0.486 |
2 |
2 |
0 |
0.000 |
16 |
|
F |
57 |
21 |
23640 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
23890 |
533.8 |
-2.2 |
0.544 |
2 |
2 |
0 |
0.000 |
| Average: |
549.9 |
-3.5 |
0.453 |
2 |
2 |
0 |
0.000 |
| 4 |
17 |
|
[CB3]G:702 |
34 |
1 |
696 |
f |
G |
x,y,z |
1_555 |
73 |
24 |
23934 |
469.6 |
-2.3 |
0.286 |
4 |
0 |
0 |
0.036 |
18 |
|
[CB3]E:702 |
34 |
1 |
697 |
f |
E |
x,y,z |
1_555 |
68 |
24 |
23969 |
465.6 |
-1.5 |
0.344 |
4 |
0 |
0 |
0.036 |
19 |
|
[CB3]A:702 |
34 |
1 |
687 |
f |
A |
x,y,z |
1_555 |
73 |
24 |
23890 |
460.5 |
-1.0 |
0.393 |
4 |
0 |
0 |
0.036 |
20 |
|
[CB3]C:702 |
34 |
1 |
693 |
f |
C |
x,y,z |
1_555 |
69 |
24 |
23894 |
458.1 |
-1.6 |
0.340 |
4 |
0 |
0 |
0.036 |
| Average: |
463.4 |
-1.6 |
0.341 |
4 |
0 |
0 |
0.036 |
| 5 |
21 |
|
[FOL]F:703 |
32 |
1 |
663 |
f |
F |
x,y,z |
1_555 |
69 |
25 |
23640 |
469.1 |
-2.5 |
0.211 |
7 |
0 |
0 |
0.067 |
22 |
|
[FOL]A:703 |
32 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
70 |
26 |
23890 |
468.3 |
0.2 |
0.394 |
6 |
0 |
0 |
0.067 |
23 |
|
[FOL]C:703 |
32 |
1 |
669 |
f |
C |
x,y,z |
1_555 |
71 |
26 |
23894 |
465.4 |
0.5 |
0.421 |
6 |
0 |
0 |
0.067 |
24 |
|
[FOL]E:703 |
32 |
1 |
668 |
f |
E |
x,y,z |
1_555 |
70 |
27 |
23969 |
464.5 |
0.5 |
0.413 |
6 |
0 |
0 |
0.067 |
25 |
|
[FOL]G:703 |
32 |
1 |
668 |
f |
G |
x,y,z |
1_555 |
68 |
26 |
23934 |
462.3 |
0.2 |
0.381 |
6 |
0 |
0 |
0.067 |
26 |
|
[FOL]H:703 |
32 |
1 |
661 |
f |
H |
x,y,z |
1_555 |
69 |
24 |
23700 |
456.3 |
-2.1 |
0.240 |
7 |
0 |
0 |
0.067 |
| Average: |
464.3 |
-0.5 |
0.343 |
6 |
0 |
0 |
0.067 |
| 6 |
27 |
|
[FOL]D:703 |
32 |
1 |
658 |
f |
D |
x,y,z |
1_555 |
68 |
25 |
23617 |
463.8 |
-2.2 |
0.231 |
6 |
0 |
0 |
0.044 |
28 |
|
[FOL]B:703 |
32 |
1 |
658 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
23555 |
459.2 |
-2.0 |
0.243 |
5 |
0 |
0 |
0.044 |
| Average: |
461.5 |
-2.1 |
0.237 |
6 |
0 |
0 |
0.044 |
| 7 |
29 |
|
[CB3]B:702 |
33 |
1 |
705 |
f |
B |
x,y,z |
1_555 |
60 |
21 |
23555 |
442.8 |
-1.5 |
0.376 |
6 |
0 |
0 |
0.038 |
30 |
|
[CB3]D:702 |
34 |
1 |
693 |
f |
D |
x,y,z |
1_555 |
56 |
21 |
23617 |
440.7 |
-1.0 |
0.412 |
6 |
0 |
0 |
0.038 |
31 |
|
[CB3]F:702 |
34 |
1 |
694 |
f |
F |
x,y,z |
1_555 |
58 |
22 |
23640 |
438.5 |
-1.3 |
0.375 |
7 |
0 |
0 |
0.038 |
32 |
|
[CB3]H:702 |
33 |
1 |
706 |
f |
H |
x,y,z |
1_555 |
60 |
22 |
23700 |
435.7 |
-1.6 |
0.362 |
6 |
0 |
0 |
0.038 |
| Average: |
439.4 |
-1.4 |
0.381 |
6 |
0 |
0 |
0.038 |
| 8 |
33 |
|
E |
26 |
10 |
23969 |
◊ |
C |
x-1,y-1,z+1 |
1_446 |
25 |
6 |
23894 |
243.4 |
-2.8 |
0.181 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
28 |
6 |
23890 |
◊ |
G |
x-1,y,z |
1_455 |
25 |
10 |
23934 |
231.7 |
-2.7 |
0.173 |
0 |
0 |
0 |
0.000 |
35 |
|
G |
25 |
6 |
23934 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
23890 |
226.6 |
-2.6 |
0.223 |
0 |
0 |
0 |
0.000 |
36 |
|
E |
25 |
6 |
23969 |
◊ |
C |
x,y-1,z+1 |
1_546 |
25 |
10 |
23894 |
218.0 |
-2.5 |
0.245 |
0 |
0 |
0 |
0.000 |
| Average: |
229.9 |
-2.7 |
0.205 |
0 |
0 |
0 |
0.000 |
| 9 |
37 |
|
[UMP]G:701 |
18 |
1 |
441 |
f |
G |
x,y,z |
1_555 |
34 |
18 |
23934 |
231.5 |
-1.9 |
0.522 |
12 |
0 |
0 |
0.145 |
38 |
|
[UMP]C:701 |
18 |
1 |
442 |
f |
C |
x,y,z |
1_555 |
36 |
18 |
23894 |
231.0 |
-1.8 |
0.542 |
12 |
0 |
0 |
0.145 |
39 |
|
[UMP]A:701 |
18 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
34 |
18 |
23890 |
229.8 |
-2.5 |
0.454 |
11 |
0 |
0 |
0.145 |
40 |
|
[UMP]F:701 |
18 |
1 |
442 |
f |
F |
x,y,z |
1_555 |
34 |
17 |
23640 |
229.8 |
-3.6 |
0.326 |
12 |
0 |
0 |
0.145 |
41 |
|
[UMP]E:701 |
18 |
1 |
441 |
f |
E |
x,y,z |
1_555 |
35 |
18 |
23969 |
229.7 |
-2.4 |
0.469 |
12 |
0 |
0 |
0.145 |
42 |
|
[UMP]B:701 |
18 |
1 |
442 |
f |
B |
x,y,z |
1_555 |
34 |
17 |
23555 |
229.4 |
-2.1 |
0.511 |
12 |
0 |
0 |
0.145 |
43 |
|
[UMP]D:701 |
18 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
35 |
18 |
23617 |
228.8 |
-2.3 |
0.493 |
12 |
0 |
0 |
0.145 |
44 |
|
[UMP]H:701 |
18 |
1 |
441 |
f |
H |
x,y,z |
1_555 |
35 |
18 |
23700 |
228.4 |
-3.2 |
0.373 |
12 |
0 |
0 |
0.145 |
| Average: |
229.8 |
-2.5 |
0.461 |
12 |
0 |
0 |
0.145 |
| 10 |
45 |
|
F |
14 |
8 |
23640 |
x |
F |
x-1,y,z |
1_455 |
22 |
9 |
23640 |
140.6 |
1.9 |
0.776 |
2 |
0 |
0 |
0.000 |
46 |
|
D |
15 |
7 |
23617 |
x |
D |
x-1,y,z |
1_455 |
21 |
8 |
23617 |
128.1 |
2.2 |
0.838 |
2 |
0 |
0 |
0.000 |
47 |
|
H |
19 |
7 |
23700 |
x |
H |
x-1,y,z |
1_455 |
12 |
6 |
23700 |
127.0 |
1.8 |
0.792 |
2 |
0 |
0 |
0.000 |
48 |
|
B |
17 |
8 |
23555 |
x |
B |
x-1,y,z |
1_455 |
15 |
7 |
23555 |
122.4 |
2.3 |
0.837 |
3 |
0 |
0 |
0.000 |
| Average: |
129.5 |
2.1 |
0.811 |
2 |
0 |
0 |
0.000 |
| 11 |
49 |
|
G |
14 |
5 |
23934 |
x |
G |
x-1,y,z |
1_455 |
10 |
4 |
23934 |
97.7 |
-0.4 |
0.554 |
1 |
2 |
0 |
0.000 |
50 |
|
E |
10 |
4 |
23969 |
x |
E |
x-1,y,z |
1_455 |
14 |
5 |
23969 |
93.4 |
-0.5 |
0.543 |
1 |
2 |
0 |
0.000 |
51 |
|
A |
13 |
4 |
23890 |
x |
A |
x-1,y,z |
1_455 |
11 |
5 |
23890 |
93.3 |
-0.6 |
0.519 |
2 |
2 |
0 |
0.000 |
52 |
|
C |
10 |
4 |
23894 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
23894 |
92.3 |
-0.9 |
0.436 |
2 |
2 |
0 |
0.000 |
| Average: |
94.2 |
-0.6 |
0.513 |
2 |
2 |
0 |
0.000 |
| 12 |
53 |
|
[CB3]D:702 |
16 |
1 |
693 |
f |
[UMP]D:701 |
x,y,z |
1_555 |
13 |
1 |
440 |
91.0 |
2.6 |
0.679 |
0 |
0 |
0 |
0.000 |
54 |
|
[CB3]B:702 |
16 |
1 |
705 |
f |
[UMP]B:701 |
x,y,z |
1_555 |
12 |
1 |
442 |
90.5 |
2.5 |
0.666 |
0 |
0 |
0 |
0.000 |
55 |
|
[CB3]F:702 |
16 |
1 |
694 |
f |
[UMP]F:701 |
x,y,z |
1_555 |
13 |
1 |
442 |
90.1 |
2.5 |
0.673 |
0 |
0 |
0 |
0.000 |
56 |
|
[CB3]H:702 |
16 |
1 |
706 |
f |
[UMP]H:701 |
x,y,z |
1_555 |
12 |
1 |
441 |
90.1 |
2.5 |
0.665 |
0 |
0 |
0 |
0.000 |
| Average: |
90.4 |
2.5 |
0.671 |
0 |
0 |
0 |
0.000 |
| 13 |
57 |
|
[CB3]E:702 |
16 |
1 |
697 |
f |
[UMP]E:701 |
x,y,z |
1_555 |
12 |
1 |
441 |
89.2 |
2.5 |
0.642 |
0 |
0 |
0 |
0.000 |
58 |
|
[CB3]C:702 |
16 |
1 |
693 |
f |
[UMP]C:701 |
x,y,z |
1_555 |
12 |
1 |
442 |
88.3 |
2.5 |
0.633 |
0 |
0 |
0 |
0.000 |
59 |
|
[CB3]G:702 |
16 |
1 |
696 |
f |
[UMP]G:701 |
x,y,z |
1_555 |
12 |
1 |
441 |
87.9 |
2.4 |
0.642 |
0 |
0 |
0 |
0.000 |
60 |
|
[CB3]A:702 |
16 |
1 |
687 |
f |
[UMP]A:701 |
x,y,z |
1_555 |
12 |
1 |
440 |
87.6 |
2.5 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
88.2 |
2.5 |
0.642 |
0 |
0 |
0 |
0.000 |
| 14 |
61 |
|
[UMP]G:701 |
8 |
1 |
441 |
◊ |
H |
x,y,z |
1_555 |
12 |
2 |
23700 |
83.4 |
-1.8 |
0.365 |
4 |
0 |
0 |
0.067 |
62 |
|
[UMP]F:701 |
8 |
1 |
442 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
23969 |
82.6 |
-2.1 |
0.349 |
3 |
0 |
0 |
0.067 |
63 |
|
[UMP]C:701 |
8 |
1 |
442 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
23617 |
82.4 |
-1.7 |
0.358 |
4 |
0 |
0 |
0.067 |
64 |
|
[UMP]A:701 |
8 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
23555 |
82.0 |
-1.8 |
0.366 |
4 |
0 |
0 |
0.067 |
65 |
|
[UMP]E:701 |
8 |
1 |
441 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
23640 |
81.9 |
-1.9 |
0.353 |
5 |
0 |
0 |
0.067 |
66 |
|
[UMP]H:701 |
8 |
1 |
441 |
◊ |
G |
x,y,z |
1_555 |
11 |
2 |
23934 |
80.6 |
-2.2 |
0.342 |
3 |
0 |
0 |
0.067 |
67 |
|
[UMP]B:701 |
8 |
1 |
442 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
23890 |
78.3 |
-1.6 |
0.384 |
3 |
0 |
0 |
0.067 |
68 |
|
[UMP]D:701 |
8 |
1 |
440 |
◊ |
C |
x,y,z |
1_555 |
13 |
2 |
23894 |
78.2 |
-1.7 |
0.354 |
5 |
0 |
0 |
0.067 |
| Average: |
81.2 |
-1.8 |
0.359 |
4 |
0 |
0 |
0.067 |
| 15 |
69 |
|
[NDP]D:704 |
8 |
1 |
901 |
f |
[FOL]D:703 |
x,y,z |
1_555 |
11 |
1 |
658 |
65.0 |
1.2 |
0.554 |
0 |
0 |
0 |
0.000 |
70 |
|
[NDP]E:704 |
10 |
1 |
899 |
f |
[FOL]E:703 |
x,y,z |
1_555 |
11 |
1 |
668 |
64.2 |
1.2 |
0.548 |
0 |
0 |
0 |
0.000 |
71 |
|
[NDP]A:704 |
9 |
1 |
897 |
f |
[FOL]A:703 |
x,y,z |
1_555 |
12 |
1 |
661 |
63.8 |
1.2 |
0.539 |
0 |
0 |
0 |
0.000 |
72 |
|
[NDP]C:704 |
10 |
1 |
897 |
f |
[FOL]C:703 |
x,y,z |
1_555 |
11 |
1 |
669 |
63.2 |
1.2 |
0.550 |
0 |
0 |
0 |
0.000 |
73 |
|
[NDP]G:704 |
9 |
1 |
898 |
f |
[FOL]G:703 |
x,y,z |
1_555 |
11 |
1 |
668 |
63.0 |
1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
74 |
|
[NDP]F:704 |
9 |
1 |
902 |
f |
[FOL]F:703 |
x,y,z |
1_555 |
11 |
1 |
663 |
62.6 |
1.1 |
0.564 |
0 |
0 |
0 |
0.000 |
75 |
|
[NDP]H:704 |
8 |
1 |
905 |
f |
[FOL]H:703 |
x,y,z |
1_555 |
11 |
1 |
661 |
60.5 |
1.1 |
0.538 |
0 |
0 |
0 |
0.000 |
| Average: |
63.2 |
1.2 |
0.548 |
0 |
0 |
0 |
0.000 |
| 16 |
76 |
|
[NDP]B:704 |
7 |
1 |
901 |
f |
[FOL]B:703 |
x,y,z |
1_555 |
11 |
1 |
658 |
60.8 |
1.1 |
0.539 |
0 |
0 |
0 |
0.000 |
| 17 |
77 |
|
H |
5 |
3 |
23700 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
1 |
23969 |
41.6 |
0.9 |
0.705 |
1 |
1 |
0 |
0.000 |
78 |
|
B |
4 |
3 |
23555 |
◊ |
C |
x-1,y,z+1 |
1_456 |
3 |
1 |
23894 |
39.5 |
1.0 |
0.833 |
1 |
1 |
0 |
0.000 |
79 |
|
A |
3 |
1 |
23890 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
23617 |
39.0 |
1.0 |
0.741 |
1 |
1 |
0 |
0.000 |
80 |
|
G |
3 |
1 |
23934 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
23640 |
38.8 |
0.8 |
0.708 |
1 |
1 |
0 |
0.000 |
| Average: |
39.7 |
0.9 |
0.747 |
1 |
1 |
0 |
0.000 |
| 18 |
81 |
|
[NDP]E:704 |
3 |
1 |
899 |
◊ |
C |
x-1,y-1,z+1 |
1_446 |
6 |
4 |
23894 |
33.3 |
0.4 |
0.649 |
0 |
0 |
0 |
0.000 |
82 |
|
[NDP]A:704 |
3 |
1 |
897 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
23934 |
32.8 |
0.4 |
0.655 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
7 |
4 |
23890 |
◊ |
[NDP]G:704 |
x-1,y,z |
1_455 |
3 |
1 |
898 |
31.5 |
0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
84 |
|
E |
7 |
4 |
23969 |
◊ |
[NDP]C:704 |
x,y-1,z+1 |
1_546 |
3 |
1 |
897 |
30.9 |
0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
32.1 |
0.3 |
0.645 |
0 |
0 |
0 |
0.000 |
| 19 |
85 |
|
[CB3]G:702 |
1 |
1 |
696 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
23700 |
3.8 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
86 |
|
[CB3]E:702 |
1 |
1 |
697 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
23640 |
3.1 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
87 |
|
[CB3]A:702 |
1 |
1 |
687 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23555 |
2.6 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
88 |
|
[CB3]C:702 |
1 |
1 |
693 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23617 |
2.3 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 20 |
89 |
|
[CB3]H:702 |
1 |
1 |
706 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
23934 |
3.4 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
90 |
|
[CB3]F:702 |
1 |
1 |
694 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
23969 |
0.5 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 21 |
91 |
|
G |
1 |
1 |
23934 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
23700 |
1.5 |
0.0 |
0.725 |
0 |
0 |
0 |
0.000 |
|