| ## |
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 |
136 |
45 |
17251 |
◊ |
E |
x,y,z |
1_555 |
109 |
29 |
17410 |
1153.3 |
-7.0 |
0.205 |
22 |
15 |
0 |
0.701 |
2 |
|
G |
90 |
25 |
17296 |
◊ |
D |
x,y,z |
1_555 |
98 |
27 |
17623 |
934.4 |
-10.9 |
0.076 |
11 |
9 |
0 |
0.701 |
3 |
|
H |
93 |
25 |
17217 |
◊ |
C |
x,y,z |
1_555 |
96 |
26 |
17280 |
903.2 |
-10.4 |
0.072 |
11 |
10 |
0 |
0.701 |
4 |
|
B |
93 |
27 |
16936 |
◊ |
A |
x,y,z |
1_555 |
97 |
28 |
17564 |
899.6 |
-10.1 |
0.088 |
12 |
9 |
0 |
0.701 |
| Average: |
972.6 |
-9.6 |
0.110 |
14 |
11 |
0 |
0.701 |
| 2 |
5 |
|
G |
124 |
47 |
17296 |
◊ |
F |
x,y,z |
1_555 |
90 |
17 |
17251 |
985.5 |
4.3 |
0.528 |
25 |
13 |
0 |
0.232 |
6 |
|
C |
91 |
30 |
17280 |
◊ |
A |
x,y,z |
1_555 |
77 |
16 |
17564 |
773.3 |
1.0 |
0.453 |
14 |
8 |
0 |
0.232 |
7 |
|
E |
88 |
30 |
17410 |
◊ |
D |
x,y,z |
1_555 |
76 |
15 |
17623 |
764.1 |
2.5 |
0.529 |
18 |
6 |
0 |
0.232 |
8 |
|
H |
85 |
30 |
17217 |
◊ |
E |
x,y,z |
1_555 |
80 |
16 |
17410 |
762.8 |
-0.5 |
0.417 |
12 |
8 |
0 |
0.232 |
9 |
|
G |
76 |
15 |
17296 |
◊ |
A |
x,y,z |
1_555 |
87 |
29 |
17564 |
761.7 |
0.3 |
0.412 |
13 |
6 |
0 |
0.232 |
10 |
|
D |
89 |
30 |
17623 |
◊ |
B |
x,y,z |
1_555 |
79 |
15 |
16936 |
760.8 |
1.3 |
0.424 |
14 |
5 |
0 |
0.232 |
11 |
|
H |
77 |
16 |
17217 |
◊ |
B |
x,y,z |
1_555 |
83 |
29 |
16936 |
760.5 |
0.2 |
0.458 |
14 |
7 |
0 |
0.232 |
12 |
|
F |
89 |
30 |
17251 |
◊ |
C |
x,y,z |
1_555 |
78 |
15 |
17280 |
752.6 |
-0.6 |
0.403 |
10 |
7 |
0 |
0.232 |
| Average: |
790.2 |
1.1 |
0.453 |
15 |
8 |
0 |
0.232 |
| 3 |
13 |
|
D |
85 |
23 |
17623 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
17564 |
774.7 |
-5.7 |
0.230 |
10 |
0 |
0 |
0.312 |
14 |
|
C |
79 |
23 |
17280 |
◊ |
B |
x,y,z |
1_555 |
86 |
22 |
16936 |
766.0 |
-5.9 |
0.232 |
8 |
0 |
0 |
0.312 |
15 |
|
G |
78 |
23 |
17296 |
◊ |
E |
x,y,z |
1_555 |
81 |
23 |
17410 |
748.5 |
-6.7 |
0.187 |
8 |
0 |
0 |
0.312 |
16 |
|
H |
84 |
24 |
17217 |
◊ |
F |
x,y,z |
1_555 |
76 |
22 |
17251 |
718.5 |
-9.5 |
0.072 |
9 |
0 |
0 |
0.312 |
| Average: |
751.9 |
-6.9 |
0.180 |
9 |
0 |
0 |
0.312 |
| 4 |
17 |
|
B |
56 |
18 |
16936 |
◊ |
G |
x-1,y,z |
1_455 |
58 |
17 |
17296 |
520.5 |
-9.1 |
0.051 |
1 |
2 |
0 |
0.000 |
| 5 |
18 |
|
D |
44 |
18 |
17623 |
◊ |
C |
x,y,z |
1_555 |
49 |
18 |
17280 |
461.9 |
5.1 |
0.880 |
19 |
12 |
0 |
0.044 |
19 |
|
H |
36 |
18 |
17217 |
◊ |
G |
x,y,z |
1_555 |
12 |
1 |
17296 |
232.3 |
2.9 |
0.569 |
10 |
6 |
0 |
0.044 |
20 |
|
E |
34 |
18 |
17410 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
17564 |
231.1 |
1.9 |
0.404 |
8 |
6 |
0 |
0.044 |
| Average: |
308.4 |
3.3 |
0.617 |
12 |
8 |
0 |
0.044 |
| 6 |
21 |
|
H |
40 |
13 |
17217 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
12 |
17564 |
406.1 |
0.4 |
0.576 |
5 |
2 |
0 |
0.000 |
| 7 |
22 |
|
H |
37 |
12 |
17217 |
◊ |
F |
x-1,y,z |
1_455 |
41 |
13 |
17251 |
367.8 |
-2.0 |
0.375 |
4 |
1 |
0 |
0.000 |
| 8 |
23 |
|
D |
27 |
8 |
17623 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
20 |
6 |
17296 |
236.9 |
2.0 |
0.711 |
2 |
0 |
0 |
0.000 |
| 9 |
24 |
|
H |
12 |
1 |
17217 |
◊ |
A |
x,y,z |
1_555 |
35 |
18 |
17564 |
231.4 |
3.0 |
0.574 |
11 |
6 |
0 |
0.012 |
| 10 |
25 |
|
B |
15 |
7 |
16936 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
21 |
9 |
17623 |
184.8 |
1.4 |
0.727 |
1 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[GOL]F:504 |
6 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
20 |
8 |
17251 |
146.6 |
0.8 |
0.648 |
2 |
0 |
0 |
0.001 |
| 12 |
27 |
|
[GOL]H:505 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
21 |
8 |
17217 |
139.0 |
0.5 |
0.643 |
6 |
0 |
0 |
0.060 |
| 13 |
28 |
|
[GOL]F:505 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
23 |
8 |
17251 |
137.5 |
-0.0 |
0.534 |
4 |
0 |
0 |
0.053 |
| 14 |
29 |
|
[GOL]B:502 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
16936 |
135.6 |
-0.2 |
0.559 |
4 |
0 |
0 |
0.100 |
| 15 |
30 |
|
[GOL]H:504 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
23 |
9 |
17217 |
126.4 |
-1.1 |
0.387 |
5 |
0 |
0 |
0.092 |
| 16 |
31 |
|
[GOL]H:506 |
6 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
21 |
10 |
17217 |
125.4 |
-1.2 |
0.365 |
4 |
0 |
0 |
0.131 |
32 |
|
[GOL]G:502 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
19 |
10 |
17296 |
124.9 |
-1.1 |
0.416 |
5 |
0 |
0 |
0.131 |
| Average: |
125.1 |
-1.2 |
0.391 |
5 |
0 |
0 |
0.131 |
| 17 |
33 |
|
[GOL]D:502 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
17623 |
124.7 |
-1.4 |
0.345 |
5 |
0 |
0 |
0.145 |
| 18 |
34 |
|
[GOL]E:502 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
17410 |
122.2 |
-1.2 |
0.363 |
5 |
0 |
0 |
0.100 |
| 19 |
35 |
|
[GOL]A:502 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17564 |
121.9 |
-1.0 |
0.394 |
5 |
0 |
0 |
0.136 |
| 20 |
36 |
|
[GOL]H:503 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
20 |
8 |
17217 |
117.7 |
0.4 |
0.609 |
3 |
0 |
0 |
0.026 |
| 21 |
37 |
|
F |
18 |
4 |
17251 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
5 |
17564 |
115.6 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[GOL]F:506 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
17 |
5 |
17251 |
107.0 |
-0.8 |
0.431 |
1 |
0 |
0 |
0.035 |
| 23 |
39 |
|
B |
10 |
3 |
16936 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
17296 |
98.3 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
H |
14 |
4 |
17217 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
17410 |
93.4 |
-0.7 |
0.434 |
0 |
1 |
0 |
0.000 |
| 25 |
41 |
|
[GOL]D:503 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
17623 |
90.3 |
0.4 |
0.575 |
2 |
0 |
0 |
0.020 |
| 26 |
42 |
|
[GOL]A:503 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17564 |
74.7 |
-0.1 |
0.545 |
2 |
0 |
0 |
0.041 |
| 27 |
43 |
|
[GOL]C:502 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
17280 |
71.1 |
-0.0 |
0.524 |
2 |
0 |
0 |
0.100 |
| 28 |
44 |
|
[GOL]A:503 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
16936 |
70.6 |
-0.1 |
0.478 |
2 |
0 |
0 |
0.040 |
| 29 |
45 |
|
[GOL]C:502 |
5 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
17217 |
69.9 |
0.1 |
0.556 |
2 |
0 |
0 |
0.022 |
| 30 |
46 |
|
[GOL]E:503 |
5 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
17251 |
69.0 |
-0.1 |
0.515 |
1 |
0 |
0 |
0.017 |
| 31 |
47 |
|
E |
9 |
3 |
17410 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
9 |
2 |
17251 |
68.9 |
1.6 |
0.823 |
1 |
2 |
0 |
0.000 |
| 32 |
48 |
|
[GOL]E:503 |
5 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
17410 |
67.5 |
-0.1 |
0.527 |
1 |
0 |
0 |
0.015 |
| 33 |
49 |
|
[MG]H:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
12 |
8 |
17217 |
61.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.378 |
50 |
|
[MG]F:503 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
17251 |
58.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.378 |
| Average: |
59.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.378 |
| 34 |
51 |
|
[GOL]D:503 |
4 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
17296 |
41.9 |
0.3 |
0.620 |
2 |
0 |
0 |
0.022 |
| 35 |
52 |
|
[GOL]C:502 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16936 |
36.1 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.001 |
| 36 |
53 |
|
[GOL]E:503 |
3 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
17296 |
34.3 |
-0.5 |
0.415 |
0 |
0 |
0 |
0.002 |
| 37 |
54 |
|
[GOL]E:503 |
3 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
17217 |
33.8 |
-0.5 |
0.410 |
0 |
0 |
0 |
0.012 |
| 38 |
55 |
|
[GOL]A:503 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17623 |
33.5 |
-0.5 |
0.460 |
0 |
0 |
0 |
0.002 |
| 39 |
56 |
|
C |
7 |
3 |
17280 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
2 |
17623 |
32.9 |
0.4 |
0.678 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[GOL]A:503 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17280 |
28.1 |
-0.2 |
0.493 |
0 |
0 |
0 |
0.000 |
| 41 |
58 |
|
[GOL]C:502 |
4 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
17251 |
28.0 |
-0.6 |
0.359 |
0 |
0 |
0 |
0.003 |
| 42 |
59 |
|
B |
3 |
1 |
16936 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
17410 |
22.4 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
| 43 |
60 |
|
[GOL]H:506 |
1 |
1 |
222 |
f |
[GOL]H:505 |
x,y,z |
1_555 |
3 |
1 |
217 |
13.3 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 44 |
61 |
|
[GOL]D:503 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17410 |
8.9 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
|