| ## |
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 |
|
E |
211 |
54 |
14761 |
◊ |
B |
x,y,z |
1_555 |
212 |
54 |
15159 |
2007.1 |
-26.4 |
0.031 |
22 |
11 |
0 |
0.832 |
2 |
|
I |
211 |
54 |
14911 |
◊ |
A |
x,y,z |
1_555 |
213 |
54 |
14961 |
2006.9 |
-26.4 |
0.028 |
22 |
11 |
0 |
0.832 |
3 |
|
K |
184 |
44 |
14300 |
◊ |
D |
x,y,z |
1_555 |
184 |
45 |
14552 |
1733.7 |
-24.1 |
0.023 |
17 |
12 |
0 |
0.832 |
4 |
|
J |
183 |
44 |
14440 |
◊ |
C |
x,y,z |
1_555 |
183 |
44 |
14677 |
1723.5 |
-24.1 |
0.021 |
17 |
12 |
0 |
0.832 |
5 |
|
H |
183 |
45 |
14460 |
◊ |
F |
x,y,z |
1_555 |
185 |
45 |
14308 |
1720.0 |
-24.3 |
0.023 |
17 |
12 |
0 |
0.832 |
6 |
|
L |
184 |
44 |
14243 |
◊ |
G |
x,y,z |
1_555 |
189 |
45 |
14343 |
1716.4 |
-25.4 |
0.018 |
17 |
12 |
0 |
0.832 |
| Average: |
1817.9 |
-25.1 |
0.024 |
19 |
12 |
0 |
0.832 |
| 2 |
7 |
|
B |
91 |
25 |
15159 |
◊ |
A |
x,y,z |
1_555 |
87 |
25 |
14961 |
788.2 |
-4.2 |
0.471 |
10 |
0 |
0 |
0.000 |
8 |
|
E |
86 |
26 |
14761 |
◊ |
I |
x-1,y,z |
1_455 |
87 |
25 |
14911 |
771.4 |
-2.7 |
0.574 |
11 |
0 |
0 |
0.000 |
| Average: |
779.8 |
-3.5 |
0.523 |
11 |
0 |
0 |
0.000 |
| 3 |
9 |
|
F |
70 |
19 |
14308 |
◊ |
C |
x,y,z |
1_555 |
59 |
17 |
14677 |
562.0 |
2.5 |
0.830 |
7 |
1 |
0 |
0.000 |
10 |
|
D |
57 |
17 |
14552 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
66 |
19 |
14243 |
553.6 |
1.7 |
0.806 |
7 |
0 |
0 |
0.000 |
| Average: |
557.8 |
2.1 |
0.818 |
7 |
1 |
0 |
0.000 |
| 4 |
11 |
|
H |
39 |
10 |
14460 |
◊ |
C |
x-1,y,z |
1_455 |
48 |
17 |
14677 |
417.4 |
1.6 |
0.770 |
5 |
3 |
0 |
0.000 |
12 |
|
D |
45 |
16 |
14552 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
10 |
14343 |
416.0 |
1.2 |
0.762 |
3 |
1 |
0 |
0.000 |
| Average: |
416.7 |
1.4 |
0.766 |
4 |
2 |
0 |
0.000 |
| 5 |
13 |
|
J |
46 |
12 |
14440 |
◊ |
G |
x,y,z-1 |
1_554 |
46 |
10 |
14343 |
390.3 |
1.3 |
0.731 |
6 |
7 |
0 |
0.000 |
14 |
|
K |
45 |
12 |
14300 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
46 |
10 |
14460 |
375.9 |
0.9 |
0.719 |
5 |
6 |
0 |
0.000 |
| Average: |
383.1 |
1.1 |
0.725 |
6 |
7 |
0 |
0.000 |
| 6 |
15 |
|
[CSC]L:1383 |
27 |
1 |
615 |
cf |
L |
x,y,z |
1_555 |
54 |
20 |
14243 |
372.9 |
0.7 |
0.555 |
13 |
0 |
0 |
0.200 |
16 |
|
[CSC]F:1383 |
28 |
1 |
615 |
cf |
F |
x,y,z |
1_555 |
49 |
20 |
14308 |
361.0 |
0.5 |
0.522 |
10 |
0 |
0 |
0.200 |
17 |
|
[CSC]H:1383 |
27 |
1 |
611 |
cf |
H |
x,y,z |
1_555 |
49 |
20 |
14460 |
354.9 |
0.8 |
0.536 |
11 |
0 |
0 |
0.200 |
18 |
|
[CSC]J:1385 |
25 |
1 |
538 |
cf |
J |
x,y,z |
1_555 |
49 |
18 |
14440 |
338.9 |
2.4 |
0.588 |
12 |
0 |
0 |
0.200 |
19 |
|
[CSC]G:1383 |
25 |
1 |
556 |
cf |
G |
x,y,z |
1_555 |
51 |
20 |
14343 |
338.9 |
2.0 |
0.592 |
13 |
0 |
0 |
0.200 |
20 |
|
[CSC]A:1383 |
25 |
1 |
554 |
cf |
A |
x,y,z |
1_555 |
51 |
19 |
14961 |
337.9 |
2.2 |
0.549 |
13 |
0 |
0 |
0.200 |
21 |
|
[CSC]E:1383 |
25 |
1 |
565 |
cf |
E |
x,y,z |
1_555 |
47 |
18 |
14761 |
336.1 |
2.3 |
0.586 |
12 |
0 |
0 |
0.200 |
22 |
|
[CSC]C:1383 |
25 |
1 |
548 |
cf |
C |
x,y,z |
1_555 |
48 |
19 |
14677 |
332.0 |
2.4 |
0.544 |
12 |
0 |
0 |
0.200 |
23 |
|
[CSC]D:1383 |
25 |
1 |
547 |
cf |
D |
x,y,z |
1_555 |
50 |
18 |
14552 |
331.2 |
2.5 |
0.560 |
12 |
0 |
0 |
0.200 |
| Average: |
344.9 |
1.7 |
0.559 |
12 |
0 |
0 |
0.200 |
| 7 |
24 |
|
D |
40 |
17 |
14552 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
41 |
13 |
14911 |
353.0 |
1.0 |
0.725 |
3 |
4 |
0 |
0.000 |
25 |
|
C |
43 |
17 |
14677 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
15159 |
349.1 |
1.3 |
0.746 |
3 |
4 |
0 |
0.000 |
| Average: |
351.0 |
1.1 |
0.735 |
3 |
4 |
0 |
0.000 |
| 8 |
26 |
|
[CSC]B:1384 |
25 |
1 |
547 |
cf |
B |
x,y,z |
1_555 |
49 |
18 |
15159 |
338.2 |
2.7 |
0.615 |
13 |
0 |
0 |
0.082 |
27 |
|
[CSC]K:1385 |
25 |
1 |
538 |
cf |
K |
x,y,z |
1_555 |
48 |
18 |
14300 |
338.2 |
2.4 |
0.594 |
12 |
0 |
0 |
0.082 |
28 |
|
[CSC]I:1383 |
25 |
1 |
547 |
cf |
I |
x,y,z |
1_555 |
48 |
18 |
14911 |
336.6 |
2.3 |
0.592 |
12 |
0 |
0 |
0.082 |
| Average: |
337.6 |
2.5 |
0.600 |
12 |
0 |
0 |
0.082 |
| 9 |
29 |
|
C |
39 |
12 |
14677 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
37 |
9 |
15159 |
333.2 |
-1.3 |
0.524 |
5 |
0 |
0 |
0.000 |
30 |
|
I |
34 |
9 |
14911 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
14552 |
289.6 |
-0.7 |
0.579 |
2 |
0 |
0 |
0.000 |
| Average: |
311.4 |
-1.0 |
0.552 |
4 |
0 |
0 |
0.000 |
| 10 |
31 |
|
G |
28 |
7 |
14343 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
9 |
14243 |
330.5 |
-2.6 |
0.372 |
4 |
2 |
0 |
0.000 |
32 |
|
F |
32 |
9 |
14308 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
28 |
7 |
14460 |
326.8 |
-2.9 |
0.314 |
5 |
2 |
0 |
0.000 |
| Average: |
328.6 |
-2.8 |
0.343 |
5 |
2 |
0 |
0.000 |
| 11 |
33 |
|
D |
32 |
10 |
14552 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
14761 |
310.7 |
-0.5 |
0.614 |
3 |
1 |
0 |
0.029 |
34 |
|
C |
35 |
10 |
14677 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
14961 |
304.2 |
-0.6 |
0.596 |
4 |
2 |
0 |
0.029 |
| Average: |
307.5 |
-0.5 |
0.605 |
4 |
2 |
0 |
0.029 |
| 12 |
35 |
|
J |
33 |
9 |
14440 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
35 |
11 |
14761 |
276.5 |
-1.1 |
0.537 |
4 |
0 |
0 |
0.000 |
36 |
|
K |
33 |
10 |
14300 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
14961 |
276.1 |
-1.1 |
0.542 |
4 |
0 |
0 |
0.000 |
| Average: |
276.3 |
-1.1 |
0.539 |
4 |
0 |
0 |
0.000 |
| 13 |
37 |
|
F |
29 |
9 |
14308 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
15159 |
236.7 |
-0.2 |
0.645 |
5 |
0 |
0 |
0.000 |
38 |
|
L |
29 |
9 |
14243 |
◊ |
I |
x,y,z |
1_555 |
34 |
11 |
14911 |
235.3 |
-0.2 |
0.647 |
4 |
0 |
0 |
0.000 |
| Average: |
236.0 |
-0.2 |
0.646 |
5 |
0 |
0 |
0.000 |
| 14 |
39 |
|
G |
30 |
12 |
14343 |
◊ |
E |
x,y,z |
1_555 |
31 |
10 |
14761 |
234.4 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
29 |
12 |
14460 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
10 |
14961 |
228.4 |
-0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
231.4 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 15 |
41 |
|
K |
25 |
9 |
14300 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
6 |
14343 |
200.7 |
-1.9 |
0.294 |
1 |
1 |
0 |
0.000 |
42 |
|
H |
22 |
6 |
14460 |
◊ |
J |
x-1,y,z |
1_455 |
25 |
8 |
14440 |
194.8 |
-1.8 |
0.339 |
0 |
1 |
0 |
0.000 |
| Average: |
197.8 |
-1.8 |
0.317 |
1 |
1 |
0 |
0.000 |
| 16 |
43 |
|
[ACT]G:1384 |
4 |
1 |
182 |
f |
G |
x,y,z |
1_555 |
23 |
7 |
14343 |
115.0 |
-0.4 |
0.675 |
0 |
0 |
0 |
0.009 |
| 17 |
44 |
|
[ACT]F:1384 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
24 |
7 |
14308 |
114.6 |
-0.5 |
0.684 |
0 |
0 |
0 |
0.012 |
| 18 |
45 |
|
K |
11 |
6 |
14300 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
14911 |
114.4 |
-0.6 |
0.510 |
0 |
0 |
0 |
0.000 |
46 |
|
J |
12 |
6 |
14440 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
15159 |
113.7 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
114.1 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
| 19 |
47 |
|
[ACT]H:1384 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
22 |
7 |
14460 |
113.1 |
0.1 |
0.729 |
1 |
0 |
0 |
0.007 |
| 20 |
48 |
|
[ACT]L:1384 |
4 |
1 |
182 |
f |
L |
x,y,z |
1_555 |
23 |
7 |
14243 |
112.9 |
-0.6 |
0.671 |
0 |
0 |
0 |
0.013 |
| 21 |
49 |
|
[ACT]D:1384 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
14552 |
104.0 |
-0.4 |
0.674 |
1 |
0 |
0 |
0.024 |
| 22 |
50 |
|
[ACT]C:1384 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
14677 |
103.6 |
-0.5 |
0.662 |
1 |
0 |
0 |
0.024 |
| 23 |
51 |
|
[ACT]B:1385 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
15159 |
97.9 |
-0.6 |
0.640 |
0 |
0 |
0 |
0.000 |
52 |
|
[ACT]I:1384 |
4 |
1 |
182 |
◊ |
I |
x,y,z |
1_555 |
22 |
7 |
14911 |
97.9 |
-0.6 |
0.643 |
0 |
0 |
0 |
0.000 |
| Average: |
97.9 |
-0.6 |
0.642 |
0 |
0 |
0 |
0.000 |
| 24 |
53 |
|
[ACT]A:1384 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
14961 |
96.9 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.000 |
| 25 |
54 |
|
[ACT]E:1384 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
14761 |
96.7 |
-0.7 |
0.651 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
[ACT]A:1385 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
14961 |
86.1 |
-0.5 |
0.676 |
1 |
0 |
0 |
0.020 |
| 27 |
56 |
|
[ACT]E:1385 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
14761 |
83.5 |
0.3 |
0.737 |
1 |
0 |
0 |
0.000 |
| 28 |
57 |
|
J |
9 |
4 |
14440 |
◊ |
L |
x,y,z-1 |
1_554 |
19 |
6 |
14243 |
82.3 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
58 |
|
K |
9 |
4 |
14300 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
16 |
5 |
14308 |
74.9 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| Average: |
78.6 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 29 |
59 |
|
[ACT]B:1386 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
15159 |
80.4 |
-0.1 |
0.692 |
1 |
0 |
0 |
0.013 |
| 30 |
60 |
|
[ACT]I:1386 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
9 |
5 |
14911 |
79.0 |
-0.2 |
0.681 |
1 |
0 |
0 |
0.000 |
| 31 |
61 |
|
[ACT]I:1385 |
4 |
1 |
182 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
14911 |
77.6 |
-0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
| 32 |
62 |
|
[ACT]I:1386 |
4 |
1 |
183 |
f |
K |
x,y,z |
1_555 |
8 |
5 |
14300 |
70.3 |
-0.6 |
0.555 |
0 |
0 |
0 |
0.018 |
| 33 |
63 |
|
[ACT]E:1385 |
3 |
1 |
184 |
f |
I |
x-1,y,z |
1_455 |
5 |
2 |
14911 |
53.3 |
-0.9 |
0.498 |
0 |
0 |
0 |
0.020 |
| 34 |
64 |
|
[ACT]A:1384 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15159 |
50.0 |
-0.9 |
0.455 |
0 |
0 |
0 |
0.019 |
| 35 |
65 |
|
[ACT]E:1384 |
4 |
1 |
182 |
f |
I |
x-1,y,z |
1_455 |
7 |
3 |
14911 |
49.9 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.018 |
| 36 |
66 |
|
E |
5 |
2 |
14761 |
f |
[ACT]I:1385 |
x-1,y,z |
1_455 |
4 |
1 |
182 |
49.1 |
-0.6 |
0.558 |
0 |
0 |
0 |
0.013 |
| 37 |
67 |
|
E |
7 |
3 |
14761 |
f |
[ACT]I:1384 |
x-1,y,z |
1_455 |
3 |
1 |
182 |
47.6 |
-0.8 |
0.474 |
0 |
0 |
0 |
0.019 |
68 |
|
[ACT]B:1385 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14961 |
47.0 |
-0.8 |
0.472 |
0 |
0 |
0 |
0.019 |
| Average: |
47.3 |
-0.8 |
0.473 |
0 |
0 |
0 |
0.019 |
| 38 |
69 |
|
[ACT]A:1385 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15159 |
44.0 |
0.2 |
0.677 |
1 |
0 |
0 |
0.000 |
| 39 |
70 |
|
[ACT]B:1386 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14961 |
42.6 |
-0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 40 |
71 |
|
[ACT]D:1384 |
2 |
1 |
182 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14761 |
29.5 |
-0.9 |
0.157 |
0 |
0 |
0 |
0.009 |
| 41 |
72 |
|
[ACT]C:1384 |
2 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14961 |
29.3 |
-0.9 |
0.157 |
0 |
0 |
0 |
0.010 |
| 42 |
73 |
|
F |
5 |
1 |
14308 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
14677 |
23.4 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
|