| ## |
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 |
|
I |
135 |
34 |
6877 |
◊ |
H |
x,y,z |
1_555 |
144 |
42 |
15029 |
1374.5 |
-10.8 |
0.122 |
18 |
5 |
0 |
0.592 |
2 |
|
B |
135 |
34 |
6895 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
15102 |
1363.7 |
-10.7 |
0.123 |
18 |
5 |
0 |
0.592 |
3 |
|
F |
131 |
33 |
6835 |
◊ |
E |
x,y,z |
1_555 |
143 |
42 |
15094 |
1360.1 |
-11.3 |
0.112 |
19 |
5 |
0 |
0.592 |
4 |
|
L |
130 |
33 |
6791 |
◊ |
K |
x,y,z |
1_555 |
144 |
42 |
15088 |
1359.3 |
-10.0 |
0.136 |
19 |
5 |
0 |
0.592 |
| Average: |
1364.4 |
-10.7 |
0.123 |
19 |
5 |
0 |
0.592 |
| 2 |
5 |
|
J |
60 |
9 |
1437 |
◊ |
K |
x,y,z |
1_555 |
120 |
34 |
15088 |
834.7 |
-13.2 |
0.293 |
13 |
0 |
0 |
0.346 |
6 |
|
G |
60 |
9 |
1433 |
◊ |
H |
x,y,z |
1_555 |
119 |
34 |
15029 |
833.1 |
-13.1 |
0.309 |
13 |
0 |
0 |
0.346 |
7 |
|
D |
59 |
9 |
1433 |
◊ |
E |
x,y,z |
1_555 |
118 |
34 |
15094 |
833.0 |
-13.2 |
0.288 |
13 |
0 |
0 |
0.346 |
8 |
|
C |
59 |
9 |
1433 |
◊ |
A |
x,y,z |
1_555 |
120 |
35 |
15102 |
832.9 |
-12.2 |
0.380 |
13 |
0 |
0 |
0.346 |
| Average: |
833.4 |
-13.0 |
0.317 |
13 |
0 |
0 |
0.346 |
| 3 |
9 |
|
H |
65 |
22 |
15029 |
◊ |
E |
x,y,z |
1_555 |
68 |
16 |
15094 |
569.0 |
7.4 |
0.915 |
6 |
1 |
0 |
0.000 |
10 |
|
K |
65 |
16 |
15088 |
◊ |
A |
x,y,z-1 |
1_554 |
56 |
18 |
15102 |
532.7 |
5.6 |
0.888 |
8 |
1 |
0 |
0.000 |
| Average: |
550.8 |
6.5 |
0.901 |
7 |
1 |
0 |
0.000 |
| 4 |
11 |
|
E |
40 |
11 |
15094 |
x |
E |
x-1,y,z |
1_455 |
60 |
16 |
15094 |
435.0 |
-5.5 |
0.075 |
4 |
0 |
0 |
0.000 |
12 |
|
H |
61 |
16 |
15029 |
x |
H |
x-1,y,z |
1_455 |
40 |
11 |
15029 |
433.0 |
-4.3 |
0.096 |
4 |
0 |
0 |
0.000 |
13 |
|
K |
61 |
16 |
15088 |
x |
K |
x-1,y,z |
1_455 |
39 |
11 |
15088 |
432.4 |
-4.2 |
0.090 |
4 |
0 |
0 |
0.000 |
14 |
|
A |
41 |
11 |
15102 |
x |
A |
x-1,y,z |
1_455 |
60 |
16 |
15102 |
431.8 |
-4.1 |
0.106 |
4 |
0 |
0 |
0.000 |
| Average: |
433.0 |
-4.5 |
0.092 |
4 |
0 |
0 |
0.000 |
| 5 |
15 |
|
E |
29 |
10 |
15094 |
◊ |
B |
x,y-1,z |
1_545 |
33 |
8 |
6895 |
254.4 |
4.0 |
0.880 |
6 |
0 |
0 |
0.000 |
16 |
|
I |
32 |
8 |
6877 |
◊ |
K |
x,y-1,z |
1_545 |
27 |
9 |
15088 |
250.2 |
4.1 |
0.887 |
6 |
0 |
0 |
0.000 |
17 |
|
F |
30 |
8 |
6835 |
◊ |
A |
x-1,y-1,z |
1_445 |
23 |
9 |
15102 |
215.7 |
3.6 |
0.853 |
6 |
0 |
0 |
0.000 |
18 |
|
H |
23 |
10 |
15029 |
◊ |
L |
x-1,y-1,z |
1_445 |
31 |
9 |
6791 |
209.2 |
3.4 |
0.852 |
6 |
0 |
0 |
0.000 |
| Average: |
232.4 |
3.8 |
0.868 |
6 |
0 |
0 |
0.000 |
| 6 |
19 |
|
H |
27 |
9 |
15029 |
◊ |
F |
x,y,z-1 |
1_554 |
28 |
7 |
6835 |
243.8 |
0.6 |
0.593 |
4 |
1 |
0 |
0.000 |
20 |
|
L |
26 |
6 |
6791 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
15102 |
235.8 |
0.1 |
0.535 |
3 |
1 |
0 |
0.000 |
| Average: |
239.8 |
0.3 |
0.564 |
4 |
1 |
0 |
0.000 |
| 7 |
21 |
|
L |
22 |
5 |
6791 |
◊ |
K |
x-1,y,z |
1_455 |
15 |
6 |
15088 |
191.4 |
1.4 |
0.744 |
4 |
6 |
0 |
0.000 |
22 |
|
E |
16 |
6 |
15094 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
5 |
6835 |
170.1 |
-0.0 |
0.548 |
2 |
4 |
0 |
0.000 |
23 |
|
I |
19 |
5 |
6877 |
◊ |
H |
x-1,y,z |
1_455 |
16 |
6 |
15029 |
162.6 |
0.4 |
0.587 |
2 |
4 |
0 |
0.000 |
24 |
|
A |
15 |
6 |
15102 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
5 |
6895 |
160.8 |
0.3 |
0.590 |
2 |
4 |
0 |
0.000 |
| Average: |
171.3 |
0.5 |
0.617 |
3 |
5 |
0 |
0.000 |
| 8 |
25 |
|
I |
24 |
9 |
6877 |
◊ |
E |
x,y,z-1 |
1_554 |
23 |
8 |
15094 |
180.0 |
-1.2 |
0.425 |
1 |
0 |
0 |
0.000 |
26 |
|
B |
23 |
9 |
6895 |
◊ |
K |
x,y,z |
1_555 |
23 |
7 |
15088 |
173.1 |
-1.6 |
0.370 |
0 |
0 |
0 |
0.000 |
| Average: |
176.6 |
-1.4 |
0.398 |
1 |
0 |
0 |
0.000 |
| 9 |
27 |
|
E |
19 |
8 |
15094 |
◊ |
L |
x,y-1,z |
1_545 |
20 |
7 |
6791 |
173.7 |
1.6 |
0.754 |
2 |
2 |
0 |
0.000 |
28 |
|
F |
20 |
8 |
6835 |
◊ |
K |
x,y-1,z+1 |
1_546 |
20 |
8 |
15088 |
169.3 |
1.1 |
0.707 |
3 |
1 |
0 |
0.000 |
| Average: |
171.5 |
1.3 |
0.730 |
3 |
2 |
0 |
0.000 |
| 10 |
29 |
|
[GOL]E:401 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
15094 |
114.6 |
-0.4 |
0.493 |
3 |
0 |
0 |
0.049 |
| 11 |
30 |
|
[GOL]H:401 |
6 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
19 |
6 |
15029 |
113.9 |
-1.1 |
0.409 |
3 |
0 |
0 |
0.074 |
| 12 |
31 |
|
[GOL]K:402 |
6 |
1 |
218 |
f |
K |
x,y,z |
1_555 |
18 |
6 |
15088 |
113.1 |
-0.8 |
0.475 |
1 |
0 |
0 |
0.037 |
| 13 |
32 |
|
[GOL]A:401 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15102 |
112.8 |
-0.6 |
0.486 |
3 |
0 |
0 |
0.058 |
| 14 |
33 |
|
F |
12 |
5 |
6835 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15102 |
105.1 |
-0.3 |
0.514 |
2 |
3 |
0 |
0.000 |
34 |
|
L |
13 |
5 |
6791 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
15029 |
104.7 |
-0.3 |
0.516 |
2 |
3 |
0 |
0.000 |
35 |
|
E |
10 |
5 |
15094 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
6895 |
99.7 |
-0.2 |
0.542 |
2 |
3 |
0 |
0.000 |
36 |
|
I |
13 |
5 |
6877 |
◊ |
K |
x-1,y,z |
1_455 |
10 |
5 |
15088 |
95.6 |
-0.3 |
0.523 |
2 |
3 |
0 |
0.000 |
| Average: |
101.3 |
-0.3 |
0.524 |
2 |
3 |
0 |
0.000 |
| 15 |
37 |
|
[GOL]J:301 |
6 |
1 |
217 |
f |
K |
x,y,z |
1_555 |
21 |
9 |
15088 |
100.0 |
-1.6 |
0.328 |
1 |
0 |
0 |
0.062 |
38 |
|
[GOL]D:301 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
15094 |
99.5 |
-1.6 |
0.326 |
1 |
0 |
0 |
0.062 |
| Average: |
99.8 |
-1.6 |
0.327 |
1 |
0 |
0 |
0.062 |
| 16 |
39 |
|
[GOL]C:301 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
15102 |
99.8 |
-1.4 |
0.345 |
1 |
0 |
0 |
0.054 |
| 17 |
40 |
|
[GOL]G:301 |
6 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
20 |
9 |
15029 |
99.3 |
-1.6 |
0.330 |
1 |
0 |
0 |
0.035 |
| 18 |
41 |
|
K |
8 |
3 |
15088 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
15029 |
97.8 |
0.4 |
0.578 |
1 |
2 |
0 |
0.000 |
42 |
|
H |
7 |
3 |
15029 |
◊ |
K |
x-1,y,z |
1_455 |
13 |
6 |
15088 |
97.3 |
0.3 |
0.564 |
1 |
2 |
0 |
0.000 |
43 |
|
E |
8 |
3 |
15094 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15102 |
96.9 |
0.5 |
0.608 |
2 |
2 |
0 |
0.000 |
44 |
|
E |
15 |
7 |
15094 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
15102 |
96.1 |
0.4 |
0.570 |
1 |
2 |
0 |
0.000 |
| Average: |
97.0 |
0.4 |
0.580 |
1 |
2 |
0 |
0.000 |
| 19 |
45 |
|
[GOL]H:402 |
5 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
15029 |
93.7 |
-0.6 |
0.510 |
2 |
0 |
0 |
0.045 |
| 20 |
46 |
|
[GOL]K:401 |
5 |
1 |
219 |
f |
K |
x,y,z |
1_555 |
14 |
6 |
15088 |
93.2 |
-0.5 |
0.487 |
1 |
0 |
0 |
0.027 |
| 21 |
47 |
|
E |
13 |
5 |
15094 |
◊ |
[GOL]E:402 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
93.1 |
-0.5 |
0.511 |
1 |
0 |
0 |
0.000 |
| 22 |
48 |
|
A |
16 |
6 |
15102 |
f |
[GOL]A:402 |
x-1,y,z |
1_455 |
6 |
1 |
218 |
92.9 |
-0.3 |
0.567 |
1 |
0 |
0 |
0.022 |
| 23 |
49 |
|
[GOL]C:301 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
1433 |
83.1 |
0.6 |
0.842 |
5 |
0 |
0 |
0.036 |
50 |
|
[GOL]D:301 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
1433 |
82.1 |
0.6 |
0.846 |
6 |
0 |
0 |
0.036 |
| Average: |
82.6 |
0.6 |
0.844 |
6 |
0 |
0 |
0.036 |
| 24 |
51 |
|
H |
12 |
3 |
15029 |
◊ |
[GOL]H:402 |
x-1,y,z |
1_455 |
6 |
1 |
217 |
81.6 |
2.2 |
0.850 |
5 |
0 |
0 |
0.000 |
| 25 |
52 |
|
[GOL]J:301 |
5 |
1 |
217 |
◊ |
J |
x,y,z |
1_555 |
13 |
5 |
1437 |
81.1 |
0.6 |
0.855 |
6 |
0 |
0 |
0.037 |
| 26 |
53 |
|
[GOL]E:402 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
15094 |
81.1 |
1.7 |
0.816 |
7 |
0 |
0 |
0.040 |
| 27 |
54 |
|
[GOL]G:301 |
5 |
1 |
217 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
1433 |
81.1 |
0.6 |
0.846 |
6 |
0 |
0 |
0.100 |
| 28 |
55 |
|
[GOL]A:402 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
15102 |
80.8 |
2.1 |
0.835 |
5 |
0 |
0 |
0.000 |
| 29 |
56 |
|
K |
12 |
3 |
15088 |
◊ |
[GOL]K:401 |
x-1,y,z |
1_455 |
6 |
1 |
219 |
79.4 |
2.2 |
0.836 |
4 |
0 |
0 |
0.000 |
| 30 |
57 |
|
[NA]F:201 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
6835 |
64.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.292 |
58 |
|
[NA]L:201 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
6791 |
64.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.292 |
59 |
|
[NA]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6895 |
64.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.292 |
60 |
|
[NA]I:201 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
6 |
6877 |
64.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.292 |
| Average: |
64.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.292 |
| 31 |
61 |
|
I |
8 |
4 |
6877 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
15102 |
62.2 |
1.5 |
0.848 |
1 |
3 |
0 |
0.000 |
62 |
|
H |
5 |
2 |
15029 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
6895 |
60.7 |
1.3 |
0.828 |
0 |
3 |
0 |
0.000 |
| Average: |
61.5 |
1.4 |
0.838 |
1 |
3 |
0 |
0.000 |
| 32 |
63 |
|
L |
4 |
2 |
6791 |
◊ |
J |
x-1,y,z |
1_455 |
3 |
1 |
1437 |
42.9 |
2.0 |
0.920 |
1 |
2 |
0 |
0.000 |
64 |
|
C |
3 |
1 |
1433 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
6895 |
41.7 |
1.9 |
0.920 |
1 |
2 |
0 |
0.000 |
65 |
|
D |
3 |
1 |
1433 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
2 |
6835 |
41.4 |
1.9 |
0.918 |
1 |
2 |
0 |
0.000 |
66 |
|
I |
4 |
2 |
6877 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
1433 |
40.7 |
1.9 |
0.920 |
1 |
2 |
0 |
0.000 |
| Average: |
41.7 |
1.9 |
0.919 |
1 |
2 |
0 |
0.000 |
| 33 |
67 |
|
[GOL]E:401 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1433 |
38.9 |
-0.7 |
0.463 |
0 |
0 |
0 |
0.012 |
| 34 |
68 |
|
H |
5 |
3 |
15029 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
1 |
15094 |
38.8 |
0.8 |
0.821 |
1 |
1 |
0 |
0.000 |
69 |
|
K |
2 |
1 |
15088 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
1 |
15102 |
38.4 |
0.5 |
0.776 |
1 |
2 |
0 |
0.000 |
| Average: |
38.6 |
0.7 |
0.798 |
1 |
2 |
0 |
0.000 |
| 35 |
70 |
|
[GOL]H:401 |
5 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1433 |
37.3 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.019 |
| 36 |
71 |
|
[GOL]K:402 |
3 |
1 |
218 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1437 |
35.9 |
-1.0 |
0.463 |
0 |
0 |
0 |
0.018 |
| 37 |
72 |
|
[GOL]A:401 |
4 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1433 |
35.8 |
-0.7 |
0.508 |
0 |
0 |
0 |
0.013 |
| 38 |
73 |
|
L |
3 |
2 |
6791 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6895 |
12.7 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
74 |
|
I |
4 |
2 |
6877 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
2 |
6835 |
12.6 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
12.7 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 39 |
75 |
|
L |
3 |
2 |
6791 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
6895 |
12.1 |
0.3 |
0.613 |
0 |
0 |
0 |
0.000 |
76 |
|
I |
1 |
1 |
6877 |
◊ |
F |
x-1,y,z-1 |
1_454 |
2 |
2 |
6835 |
6.0 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
9.0 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
| 40 |
77 |
|
E |
1 |
1 |
15094 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
15102 |
1.3 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
1 |
1 |
15029 |
◊ |
K |
x-1,y-1,z |
1_445 |
1 |
1 |
15088 |
0.9 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
1.1 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 41 |
79 |
|
K |
1 |
1 |
15088 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6895 |
1.1 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|