## |
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 |
|
T |
192 |
47 |
23464 |
◊ |
R |
x,y,z |
1_555 |
190 |
47 |
23442 |
1860.8 |
-12.7 |
0.173 |
33 |
18 |
0 |
0.594 |
2 |
|
C |
190 |
47 |
23191 |
◊ |
A |
x,y,z |
1_555 |
192 |
49 |
23664 |
1825.8 |
-12.5 |
0.188 |
24 |
17 |
0 |
0.594 |
Average: |
1843.3 |
-12.6 |
0.180 |
29 |
18 |
0 |
0.594 |
2 |
3 |
|
U |
143 |
40 |
10456 |
◊ |
T |
x,y,z |
1_555 |
135 |
27 |
23464 |
1387.1 |
-23.1 |
0.005 |
15 |
4 |
0 |
0.935 |
4 |
|
S |
135 |
38 |
9946 |
◊ |
R |
x,y,z |
1_555 |
126 |
27 |
23442 |
1285.1 |
-23.2 |
0.004 |
12 |
4 |
0 |
0.935 |
5 |
|
D |
125 |
34 |
9828 |
◊ |
C |
x,y,z |
1_555 |
124 |
25 |
23191 |
1245.8 |
-24.0 |
0.003 |
11 |
4 |
0 |
0.935 |
6 |
|
B |
135 |
37 |
9630 |
◊ |
A |
x,y,z |
1_555 |
118 |
27 |
23664 |
1211.6 |
-22.2 |
0.004 |
9 |
3 |
0 |
0.935 |
Average: |
1282.4 |
-23.1 |
0.004 |
12 |
4 |
0 |
0.935 |
3 |
7 |
|
F |
100 |
20 |
4613 |
◊ |
E |
x,y,z |
1_555 |
104 |
20 |
4633 |
951.8 |
-9.0 |
0.780 |
47 |
0 |
0 |
0.857 |
4 |
8 |
|
W |
100 |
19 |
4633 |
◊ |
V |
x,y,z |
1_555 |
99 |
19 |
4596 |
905.6 |
-9.0 |
0.781 |
48 |
0 |
0 |
0.954 |
5 |
9 |
|
U |
84 |
28 |
10456 |
◊ |
R |
x,y,z |
1_555 |
65 |
22 |
23442 |
647.8 |
-3.4 |
0.452 |
9 |
1 |
0 |
0.190 |
10 |
|
D |
77 |
25 |
9828 |
◊ |
A |
x,y,z |
1_555 |
71 |
23 |
23664 |
627.8 |
-1.8 |
0.567 |
9 |
1 |
0 |
0.190 |
11 |
|
B |
79 |
24 |
9630 |
◊ |
C |
x,y,z |
1_555 |
69 |
21 |
23191 |
616.4 |
-2.6 |
0.503 |
8 |
2 |
0 |
0.190 |
12 |
|
S |
71 |
26 |
9946 |
◊ |
T |
x,y,z |
1_555 |
66 |
21 |
23464 |
583.8 |
-4.9 |
0.315 |
7 |
1 |
0 |
0.190 |
Average: |
619.0 |
-3.2 |
0.459 |
8 |
1 |
0 |
0.190 |
6 |
13 |
|
E |
65 |
6 |
4633 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
23664 |
557.8 |
-5.8 |
0.583 |
12 |
0 |
0 |
0.304 |
14 |
|
F |
62 |
6 |
4613 |
◊ |
C |
x,y,z |
1_555 |
63 |
21 |
23191 |
532.4 |
-5.4 |
0.613 |
11 |
0 |
0 |
0.304 |
Average: |
545.1 |
-5.6 |
0.598 |
12 |
0 |
0 |
0.304 |
7 |
15 |
|
V |
59 |
6 |
4596 |
◊ |
R |
x,y,z |
1_555 |
59 |
19 |
23442 |
514.0 |
-6.0 |
0.578 |
11 |
0 |
0 |
0.242 |
16 |
|
W |
60 |
6 |
4633 |
◊ |
T |
x,y,z |
1_555 |
58 |
19 |
23464 |
495.5 |
-6.3 |
0.538 |
11 |
0 |
0 |
0.242 |
Average: |
504.8 |
-6.1 |
0.558 |
11 |
0 |
0 |
0.242 |
8 |
17 |
|
W |
59 |
8 |
4633 |
◊ |
R |
x,y,z |
1_555 |
49 |
19 |
23442 |
466.5 |
-3.8 |
0.577 |
5 |
0 |
0 |
0.124 |
18 |
|
V |
55 |
8 |
4596 |
◊ |
T |
x,y,z |
1_555 |
49 |
20 |
23464 |
455.4 |
-5.0 |
0.547 |
9 |
0 |
0 |
0.124 |
Average: |
461.0 |
-4.4 |
0.562 |
7 |
0 |
0 |
0.124 |
9 |
19 |
|
E |
58 |
8 |
4633 |
◊ |
C |
x,y,z |
1_555 |
48 |
19 |
23191 |
454.0 |
-5.9 |
0.503 |
6 |
0 |
0 |
0.169 |
20 |
|
F |
55 |
8 |
4613 |
◊ |
A |
x,y,z |
1_555 |
45 |
18 |
23664 |
416.2 |
-5.1 |
0.510 |
6 |
0 |
0 |
0.169 |
Average: |
435.1 |
-5.5 |
0.506 |
6 |
0 |
0 |
0.169 |
10 |
21 |
|
W |
43 |
6 |
4633 |
◊ |
S |
x,y,z |
1_555 |
45 |
16 |
9946 |
407.7 |
-6.4 |
0.454 |
10 |
0 |
0 |
0.239 |
22 |
|
V |
45 |
6 |
4596 |
◊ |
U |
x,y,z |
1_555 |
43 |
16 |
10456 |
404.4 |
-6.3 |
0.493 |
10 |
0 |
0 |
0.239 |
Average: |
406.0 |
-6.4 |
0.473 |
10 |
0 |
0 |
0.239 |
11 |
23 |
|
R |
46 |
18 |
23442 |
◊ |
T |
-x+2,y-1/2,-z+2 |
2_747 |
46 |
17 |
23464 |
401.0 |
-0.8 |
0.533 |
3 |
2 |
0 |
0.000 |
12 |
24 |
|
F |
43 |
6 |
4613 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
9630 |
396.4 |
-9.1 |
0.315 |
10 |
0 |
0 |
0.897 |
25 |
|
E |
39 |
6 |
4633 |
◊ |
D |
x,y,z |
1_555 |
38 |
15 |
9828 |
349.1 |
-6.0 |
0.487 |
7 |
0 |
0 |
0.897 |
Average: |
372.7 |
-7.6 |
0.401 |
9 |
0 |
0 |
0.897 |
13 |
26 |
|
U |
47 |
14 |
10456 |
◊ |
S |
-x+2,y-1/2,-z+2 |
2_747 |
43 |
14 |
9946 |
391.2 |
-1.9 |
0.555 |
2 |
0 |
0 |
0.000 |
14 |
27 |
|
D |
44 |
13 |
9828 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
13 |
9630 |
376.0 |
-3.9 |
0.369 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
A |
38 |
14 |
23664 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
6 |
23191 |
310.3 |
1.9 |
0.694 |
7 |
0 |
0 |
0.000 |
16 |
29 |
|
A |
35 |
10 |
23664 |
◊ |
U |
x,y,z-1 |
1_554 |
24 |
7 |
10456 |
268.6 |
2.0 |
0.789 |
6 |
6 |
0 |
0.000 |
17 |
30 |
|
W |
36 |
5 |
4633 |
◊ |
U |
x,y,z |
1_555 |
32 |
8 |
10456 |
257.2 |
2.5 |
0.842 |
2 |
0 |
0 |
0.000 |
31 |
|
V |
29 |
5 |
4596 |
◊ |
S |
x,y,z |
1_555 |
26 |
8 |
9946 |
203.8 |
0.5 |
0.734 |
1 |
0 |
0 |
0.000 |
Average: |
230.5 |
1.5 |
0.788 |
2 |
0 |
0 |
0.000 |
18 |
32 |
|
S |
20 |
4 |
9946 |
◊ |
T |
x-1,y,z |
1_455 |
31 |
9 |
23464 |
229.0 |
1.4 |
0.766 |
7 |
7 |
0 |
0.000 |
19 |
33 |
|
E |
33 |
5 |
4633 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
9630 |
214.4 |
-1.1 |
0.536 |
1 |
0 |
0 |
0.055 |
34 |
|
F |
32 |
5 |
4613 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
9828 |
194.3 |
-1.3 |
0.615 |
1 |
0 |
0 |
0.055 |
Average: |
204.4 |
-1.2 |
0.575 |
1 |
0 |
0 |
0.055 |
20 |
35 |
|
A |
30 |
7 |
23664 |
◊ |
W |
x,y,z-1 |
1_554 |
21 |
2 |
4633 |
204.9 |
2.0 |
0.671 |
3 |
0 |
0 |
0.000 |
21 |
36 |
|
V |
19 |
2 |
4596 |
◊ |
T |
x-1,y,z |
1_455 |
25 |
7 |
23464 |
184.6 |
1.4 |
0.659 |
4 |
0 |
0 |
0.000 |
22 |
37 |
|
D |
16 |
3 |
9828 |
◊ |
R |
x-1,y,z |
1_455 |
19 |
6 |
23442 |
162.5 |
0.8 |
0.735 |
1 |
3 |
0 |
0.000 |
23 |
38 |
|
A |
19 |
6 |
23664 |
◊ |
U |
x-1,y,z-1 |
1_454 |
16 |
5 |
10456 |
157.2 |
1.6 |
0.803 |
2 |
3 |
0 |
0.000 |
24 |
39 |
|
A |
17 |
7 |
23664 |
◊ |
T |
x-1,y,z-1 |
1_454 |
18 |
7 |
23464 |
144.1 |
0.8 |
0.690 |
1 |
0 |
0 |
0.000 |
40 |
|
R |
10 |
4 |
23442 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
23191 |
81.5 |
0.6 |
0.707 |
2 |
1 |
0 |
0.000 |
Average: |
112.8 |
0.7 |
0.698 |
2 |
1 |
0 |
0.000 |
25 |
41 |
|
[GOL]T:501 |
6 |
1 |
223 |
f |
T |
x,y,z |
1_555 |
21 |
9 |
23464 |
141.4 |
-0.1 |
0.521 |
4 |
0 |
0 |
0.036 |
26 |
42 |
|
[GOL]R:501 |
6 |
1 |
221 |
f |
R |
x,y,z |
1_555 |
20 |
9 |
23442 |
141.3 |
0.1 |
0.572 |
4 |
0 |
0 |
0.038 |
27 |
43 |
|
[GOL]A:501 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
23664 |
140.1 |
-0.0 |
0.529 |
2 |
0 |
0 |
0.024 |
28 |
44 |
|
[GOL]C:501 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
23191 |
138.9 |
0.2 |
0.602 |
5 |
0 |
0 |
0.100 |
29 |
45 |
|
[GOL]U:701 |
6 |
1 |
220 |
f |
U |
x,y,z |
1_555 |
23 |
8 |
10456 |
135.4 |
-0.3 |
0.580 |
3 |
0 |
0 |
0.100 |
30 |
46 |
|
D |
16 |
5 |
9828 |
◊ |
R |
x,y,z |
1_555 |
16 |
5 |
23442 |
130.8 |
1.8 |
0.841 |
3 |
4 |
0 |
0.000 |
31 |
47 |
|
R |
18 |
6 |
23442 |
◊ |
S |
-x+2,y-1/2,-z+2 |
2_747 |
14 |
5 |
9946 |
129.0 |
2.4 |
0.856 |
3 |
0 |
0 |
0.000 |
48 |
|
U |
13 |
5 |
10456 |
◊ |
T |
-x+2,y-1/2,-z+2 |
2_747 |
17 |
6 |
23464 |
126.4 |
2.3 |
0.845 |
2 |
0 |
0 |
0.000 |
Average: |
127.7 |
2.3 |
0.850 |
3 |
0 |
0 |
0.000 |
32 |
49 |
|
S |
17 |
4 |
9946 |
◊ |
C |
x,y,z |
1_555 |
19 |
3 |
23191 |
121.6 |
1.3 |
0.782 |
2 |
2 |
0 |
0.000 |
33 |
50 |
|
B |
14 |
4 |
9630 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
5 |
23191 |
114.8 |
0.8 |
0.728 |
1 |
0 |
0 |
0.000 |
34 |
51 |
|
[GOL]R:502 |
6 |
1 |
218 |
f |
R |
x,y,z |
1_555 |
18 |
7 |
23442 |
110.2 |
-0.2 |
0.520 |
2 |
0 |
0 |
0.024 |
35 |
52 |
|
F |
12 |
2 |
4613 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
23191 |
107.8 |
2.5 |
0.837 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
A |
15 |
6 |
23664 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
9630 |
104.1 |
0.2 |
0.653 |
3 |
1 |
0 |
0.000 |
54 |
|
D |
7 |
2 |
9828 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
23191 |
103.8 |
0.7 |
0.731 |
1 |
0 |
0 |
0.000 |
Average: |
103.9 |
0.4 |
0.692 |
2 |
1 |
0 |
0.000 |
37 |
55 |
|
W |
16 |
2 |
4633 |
◊ |
T |
x-1,y,z |
1_455 |
9 |
3 |
23464 |
98.8 |
0.9 |
0.770 |
1 |
0 |
0 |
0.000 |
38 |
56 |
|
F |
12 |
2 |
4613 |
◊ |
R |
x-1,y,z |
1_455 |
10 |
3 |
23442 |
98.2 |
0.7 |
0.701 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
[GOL]T:502 |
6 |
1 |
220 |
f |
T |
x,y,z |
1_555 |
18 |
7 |
23464 |
96.8 |
0.8 |
0.681 |
5 |
0 |
0 |
0.028 |
40 |
58 |
|
[GOL]F:101 |
6 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
4613 |
91.0 |
-0.1 |
0.666 |
2 |
0 |
0 |
0.030 |
41 |
59 |
|
A |
11 |
3 |
23664 |
◊ |
V |
x,y,z-1 |
1_554 |
11 |
2 |
4596 |
90.8 |
-0.2 |
0.647 |
1 |
0 |
0 |
0.000 |
42 |
60 |
|
[GOL]R:503 |
5 |
1 |
215 |
f |
R |
x,y,z |
1_555 |
14 |
4 |
23442 |
85.6 |
0.5 |
0.683 |
4 |
0 |
0 |
0.029 |
43 |
61 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23664 |
78.9 |
-8.9 |
0.947 |
4 |
0 |
0 |
0.279 |
44 |
62 |
|
[GOL]V:101 |
4 |
1 |
220 |
f |
W |
x,y,z |
1_555 |
10 |
5 |
4633 |
72.8 |
-0.1 |
0.559 |
2 |
0 |
0 |
0.100 |
45 |
63 |
|
[GOL]E:101 |
5 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
4633 |
69.1 |
-0.4 |
0.545 |
1 |
0 |
0 |
0.023 |
46 |
64 |
|
[SO4]T:503 |
4 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
12 |
3 |
23464 |
65.5 |
-7.0 |
0.894 |
1 |
0 |
0 |
0.145 |
47 |
65 |
|
[NA]R:504 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
10 |
6 |
23442 |
64.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.291 |
66 |
|
[NA]T:504 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
11 |
6 |
23464 |
64.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.291 |
Average: |
64.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.291 |
48 |
67 |
|
[GOL]F:101 |
4 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
4633 |
59.4 |
-0.7 |
0.571 |
2 |
0 |
0 |
0.100 |
49 |
68 |
|
R |
11 |
3 |
23442 |
◊ |
T |
x-1,y,z |
1_455 |
4 |
1 |
23464 |
57.3 |
0.4 |
0.692 |
1 |
0 |
0 |
0.000 |
69 |
|
A |
4 |
1 |
23664 |
◊ |
T |
x,y,z-1 |
1_554 |
8 |
2 |
23464 |
50.3 |
0.4 |
0.685 |
1 |
0 |
0 |
0.000 |
Average: |
53.8 |
0.4 |
0.689 |
1 |
0 |
0 |
0.000 |
50 |
70 |
|
[GOL]U:701 |
4 |
1 |
220 |
◊ |
T |
x,y,z |
1_555 |
9 |
3 |
23464 |
55.9 |
-0.1 |
0.568 |
1 |
0 |
0 |
0.010 |
51 |
71 |
|
[GOL]E:101 |
4 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
4613 |
53.6 |
-0.7 |
0.577 |
2 |
0 |
0 |
0.103 |
52 |
72 |
|
[GOL]V:101 |
5 |
1 |
220 |
◊ |
V |
x,y,z |
1_555 |
8 |
4 |
4596 |
51.3 |
-0.0 |
0.616 |
1 |
0 |
0 |
0.014 |
53 |
73 |
|
R |
2 |
1 |
23442 |
◊ |
S |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
2 |
9946 |
43.9 |
1.7 |
0.871 |
2 |
2 |
0 |
0.000 |
54 |
74 |
|
A |
5 |
1 |
23664 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
9630 |
42.4 |
-0.4 |
0.466 |
0 |
0 |
0 |
0.000 |
55 |
75 |
|
C |
3 |
1 |
23191 |
◊ |
U |
x,y,z-1 |
1_554 |
3 |
2 |
10456 |
38.5 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
56 |
76 |
|
R |
5 |
2 |
23442 |
◊ |
[GOL]T:502 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
220 |
36.9 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
57 |
77 |
|
E |
7 |
1 |
4633 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
23191 |
34.5 |
-1.0 |
0.401 |
0 |
0 |
0 |
0.000 |
58 |
78 |
|
[SO4]A:502 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
23191 |
34.5 |
-3.1 |
0.941 |
2 |
0 |
0 |
0.091 |
59 |
79 |
|
A |
8 |
4 |
23664 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
23191 |
31.7 |
-0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
60 |
80 |
|
B |
3 |
3 |
9630 |
◊ |
T |
x-1,y,z-1 |
1_454 |
4 |
1 |
23464 |
30.9 |
0.8 |
0.846 |
0 |
0 |
0 |
0.000 |
61 |
81 |
|
[SO4]T:503 |
3 |
1 |
185 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
23442 |
29.3 |
-3.3 |
0.953 |
1 |
0 |
0 |
0.055 |
62 |
82 |
|
C |
4 |
2 |
23191 |
◊ |
R |
x-1,y,z |
1_455 |
1 |
1 |
23442 |
19.0 |
-0.3 |
0.253 |
0 |
0 |
0 |
0.000 |
63 |
83 |
|
[NA]R:504 |
1 |
1 |
125 |
◊ |
T |
x-1,y,z |
1_455 |
1 |
1 |
23464 |
14.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
A |
1 |
1 |
23664 |
◊ |
[NA]T:504 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
10.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
85 |
|
D |
1 |
1 |
9828 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
23664 |
12.7 |
-0.2 |
0.343 |
0 |
0 |
0 |
0.000 |
65 |
86 |
|
C |
2 |
1 |
23191 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
9630 |
7.7 |
-0.0 |
0.433 |
0 |
0 |
0 |
0.000 |
|