| ## |
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 |
|
[ADP]C:998 |
26 |
1 |
557 |
f |
C |
x,y,z |
1_555 |
68 |
24 |
27159 |
378.6 |
-5.6 |
0.626 |
15 |
0 |
0 |
0.048 |
2 |
|
[ADP]B:998 |
27 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
66 |
24 |
27148 |
378.4 |
-5.8 |
0.607 |
15 |
0 |
0 |
0.048 |
3 |
|
[ADP]A:998 |
27 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
67 |
24 |
27132 |
378.0 |
-5.7 |
0.616 |
14 |
0 |
0 |
0.048 |
4 |
|
[ADP]E:998 |
26 |
1 |
553 |
f |
E |
x,y,z |
1_555 |
66 |
25 |
27150 |
377.6 |
-5.4 |
0.621 |
14 |
0 |
0 |
0.048 |
5 |
|
[ADP]F:998 |
26 |
1 |
551 |
f |
F |
x,y,z |
1_555 |
70 |
25 |
27131 |
377.1 |
-5.3 |
0.626 |
14 |
0 |
0 |
0.048 |
6 |
|
[ADP]D:998 |
26 |
1 |
555 |
f |
D |
x,y,z |
1_555 |
68 |
25 |
27145 |
375.9 |
-5.8 |
0.606 |
14 |
0 |
0 |
0.048 |
| Average: |
377.6 |
-5.6 |
0.617 |
14 |
0 |
0 |
0.048 |
| 2 |
7 |
|
A |
44 |
14 |
27132 |
◊ |
F |
x,y-1,z |
1_545 |
45 |
13 |
27131 |
351.0 |
-1.4 |
0.498 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
38 |
12 |
27159 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
27148 |
335.3 |
-1.4 |
0.502 |
2 |
0 |
0 |
0.000 |
| Average: |
343.1 |
-1.4 |
0.500 |
2 |
0 |
0 |
0.000 |
| 3 |
9 |
|
D |
37 |
11 |
27145 |
◊ |
F |
-x+1,y-1,-z |
2_645 |
37 |
13 |
27131 |
351.0 |
-1.9 |
0.471 |
4 |
0 |
0 |
0.000 |
10 |
|
E |
34 |
11 |
27150 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
36 |
12 |
27159 |
301.5 |
-1.4 |
0.509 |
3 |
0 |
0 |
0.000 |
| Average: |
326.2 |
-1.6 |
0.490 |
4 |
0 |
0 |
0.000 |
| 4 |
11 |
|
D |
32 |
11 |
27145 |
◊ |
A |
-x,y,-z |
2_555 |
37 |
13 |
27132 |
254.3 |
-1.8 |
0.413 |
0 |
0 |
0 |
0.000 |
12 |
|
E |
24 |
8 |
27150 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
18 |
7 |
27148 |
146.4 |
-0.4 |
0.567 |
0 |
0 |
0 |
0.000 |
| Average: |
200.4 |
-1.1 |
0.490 |
0 |
0 |
0 |
0.000 |
| 5 |
13 |
|
C |
29 |
9 |
27159 |
◊ |
F |
x,y-1,z |
1_545 |
28 |
13 |
27131 |
221.5 |
0.4 |
0.711 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
26 |
8 |
27131 |
◊ |
C |
x,y,z |
1_555 |
26 |
13 |
27159 |
200.0 |
-0.1 |
0.647 |
1 |
0 |
0 |
0.000 |
15 |
|
E |
23 |
9 |
27150 |
◊ |
A |
-x+1,y,-z |
2_655 |
22 |
9 |
27132 |
187.6 |
0.9 |
0.780 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
12 |
5 |
27145 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
15 |
8 |
27148 |
95.4 |
1.0 |
0.806 |
1 |
0 |
0 |
0.000 |
| Average: |
176.1 |
0.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| 6 |
17 |
|
F |
24 |
8 |
27131 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
27148 |
191.7 |
-0.9 |
0.525 |
2 |
0 |
0 |
0.000 |
18 |
|
C |
24 |
8 |
27159 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
27132 |
186.0 |
-1.0 |
0.518 |
0 |
0 |
0 |
0.000 |
19 |
|
F |
14 |
7 |
27131 |
◊ |
A |
-x+1,y,-z |
2_655 |
13 |
6 |
27132 |
84.7 |
0.5 |
0.694 |
0 |
0 |
0 |
0.000 |
| Average: |
154.1 |
-0.4 |
0.579 |
1 |
0 |
0 |
0.000 |
| 7 |
20 |
|
D |
22 |
9 |
27145 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
7 |
27150 |
146.6 |
-1.2 |
0.485 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
18 |
8 |
27145 |
◊ |
E |
x-1,y-1,z |
1_445 |
24 |
10 |
27150 |
121.9 |
-1.4 |
0.463 |
0 |
0 |
0 |
0.000 |
| Average: |
134.3 |
-1.3 |
0.474 |
0 |
0 |
0 |
0.000 |
| 8 |
22 |
|
E |
15 |
8 |
27150 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
8 |
27148 |
127.8 |
-0.3 |
0.591 |
1 |
1 |
0 |
0.000 |
| 9 |
23 |
|
C |
21 |
8 |
27159 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
17 |
7 |
27148 |
124.5 |
-0.2 |
0.610 |
1 |
1 |
0 |
0.000 |
| 10 |
24 |
|
D |
15 |
6 |
27145 |
◊ |
F |
x,y-1,z |
1_545 |
12 |
6 |
27131 |
119.5 |
-0.2 |
0.607 |
1 |
0 |
0 |
0.000 |
| 11 |
25 |
|
D |
13 |
6 |
27145 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
5 |
27132 |
99.4 |
0.9 |
0.810 |
1 |
1 |
0 |
0.000 |
| 12 |
26 |
|
[ALF]A:999 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
27132 |
96.7 |
2.3 |
0.707 |
10 |
0 |
0 |
0.008 |
27 |
|
[ALF]F:999 |
5 |
1 |
207 |
f |
F |
x,y,z |
1_555 |
26 |
14 |
27131 |
96.4 |
2.3 |
0.699 |
9 |
0 |
0 |
0.008 |
28 |
|
[ALF]E:999 |
5 |
1 |
206 |
f |
E |
x,y,z |
1_555 |
27 |
14 |
27150 |
96.3 |
2.1 |
0.680 |
9 |
0 |
0 |
0.008 |
29 |
|
[ALF]D:999 |
5 |
1 |
209 |
f |
D |
x,y,z |
1_555 |
27 |
14 |
27145 |
95.5 |
3.7 |
0.793 |
9 |
0 |
0 |
0.008 |
30 |
|
[ALF]C:999 |
5 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
27159 |
95.3 |
2.3 |
0.703 |
10 |
0 |
0 |
0.008 |
31 |
|
[ALF]B:999 |
5 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
27148 |
95.2 |
3.9 |
0.799 |
9 |
0 |
0 |
0.008 |
| Average: |
95.9 |
2.8 |
0.730 |
9 |
0 |
0 |
0.008 |
| 13 |
32 |
|
B |
8 |
3 |
27148 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
27148 |
79.0 |
-0.6 |
0.475 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
A |
5 |
2 |
27132 |
◊ |
A |
-x+1,y,-z |
2_655 |
5 |
2 |
27132 |
51.5 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
| 15 |
34 |
|
[ADP]A:998 |
5 |
1 |
555 |
f |
[ALF]A:999 |
x,y,z |
1_555 |
5 |
1 |
209 |
50.1 |
-2.6 |
0.112 |
0 |
0 |
0 |
0.010 |
35 |
|
[ADP]D:998 |
5 |
1 |
555 |
f |
[ALF]D:999 |
x,y,z |
1_555 |
5 |
1 |
209 |
49.9 |
-2.6 |
0.113 |
0 |
0 |
0 |
0.010 |
36 |
|
[ADP]C:998 |
5 |
1 |
557 |
f |
[ALF]C:999 |
x,y,z |
1_555 |
5 |
1 |
209 |
49.8 |
-2.6 |
0.113 |
0 |
0 |
0 |
0.010 |
37 |
|
[ADP]B:998 |
5 |
1 |
558 |
f |
[ALF]B:999 |
x,y,z |
1_555 |
5 |
1 |
208 |
49.3 |
-2.5 |
0.114 |
0 |
0 |
0 |
0.010 |
38 |
|
[ADP]F:998 |
5 |
1 |
551 |
f |
[ALF]F:999 |
x,y,z |
1_555 |
5 |
1 |
207 |
46.9 |
-2.2 |
0.123 |
1 |
0 |
0 |
0.010 |
39 |
|
[ADP]E:998 |
5 |
1 |
553 |
f |
[ALF]E:999 |
x,y,z |
1_555 |
5 |
1 |
206 |
46.4 |
-2.3 |
0.124 |
1 |
0 |
0 |
0.010 |
| Average: |
48.7 |
-2.5 |
0.117 |
0 |
0 |
0 |
0.010 |
| 16 |
40 |
|
E |
7 |
2 |
27150 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
27159 |
45.7 |
-0.8 |
0.366 |
0 |
0 |
0 |
0.000 |
| 17 |
41 |
|
[MG]F:997 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
27131 |
33.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.019 |
42 |
|
[MG]E:997 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
27150 |
33.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.019 |
43 |
|
[MG]C:997 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
27159 |
32.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.019 |
44 |
|
[MG]B:997 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
27148 |
32.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
|
[MG]D:997 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
27145 |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.019 |
46 |
|
[MG]A:997 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
27132 |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
32.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| 18 |
47 |
|
A |
4 |
2 |
27132 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
3 |
27150 |
30.8 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| 19 |
48 |
|
F |
3 |
1 |
27131 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
27150 |
30.4 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
2 |
2 |
27145 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
27159 |
15.7 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
3 |
1 |
27159 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
27148 |
13.3 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
| 20 |
51 |
|
[ADP]D:998 |
6 |
1 |
555 |
f |
[MG]D:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
52 |
|
[ADP]B:998 |
5 |
1 |
558 |
f |
[MG]B:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
53 |
|
[ADP]A:998 |
4 |
1 |
555 |
f |
[MG]A:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
|
[ADP]C:998 |
5 |
1 |
557 |
f |
[MG]C:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
55 |
|
[ADP]F:998 |
5 |
1 |
551 |
f |
[MG]F:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.015 |
56 |
|
[ADP]E:998 |
4 |
1 |
553 |
f |
[MG]E:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
26.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 21 |
57 |
|
C |
3 |
2 |
27159 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
27159 |
26.2 |
-0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
| 22 |
58 |
|
F |
4 |
2 |
27131 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
27132 |
24.0 |
-0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
| 23 |
59 |
|
[ALF]A:999 |
2 |
1 |
209 |
f |
[MG]A:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
60 |
|
[ALF]B:999 |
2 |
1 |
208 |
f |
[MG]B:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
|
[ALF]D:999 |
2 |
1 |
209 |
f |
[MG]D:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
62 |
|
[ALF]C:999 |
2 |
1 |
209 |
f |
[MG]C:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
63 |
|
[ALF]E:999 |
2 |
1 |
206 |
f |
[MG]E:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
64 |
|
[ALF]F:999 |
2 |
1 |
207 |
f |
[MG]F:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
23.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
| 24 |
65 |
|
A |
2 |
2 |
27132 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
27132 |
21.0 |
0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
| 25 |
66 |
|
C |
3 |
1 |
27159 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
27148 |
20.8 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
67 |
|
D |
1 |
1 |
27145 |
◊ |
D |
-x,y,-z |
2_555 |
1 |
1 |
27145 |
11.0 |
0.4 |
0.880 |
0 |
0 |
0 |
0.000 |
| Average: |
15.9 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
| 26 |
68 |
|
D |
2 |
1 |
27145 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
27148 |
4.5 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| 27 |
69 |
|
C |
1 |
1 |
27159 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
27150 |
2.1 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
|