## |
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 |
|
N |
222 |
61 |
11725 |
◊ |
M |
x,y,z |
1_555 |
224 |
60 |
11957 |
1965.7 |
-25.6 |
0.101 |
15 |
1 |
0 |
1.000 |
2 |
|
R |
216 |
60 |
11791 |
◊ |
Q |
x,y,z |
1_555 |
212 |
58 |
11919 |
1943.4 |
-26.3 |
0.059 |
13 |
1 |
0 |
1.000 |
3 |
|
T |
218 |
59 |
11539 |
◊ |
S |
x,y,z |
1_555 |
211 |
57 |
11882 |
1933.4 |
-28.9 |
0.037 |
16 |
2 |
0 |
1.000 |
4 |
|
P |
216 |
58 |
11550 |
◊ |
O |
x,y,z |
1_555 |
216 |
58 |
11958 |
1909.2 |
-29.0 |
0.039 |
11 |
0 |
0 |
1.000 |
Average: |
1937.9 |
-27.5 |
0.059 |
14 |
1 |
0 |
1.000 |
2 |
5 |
|
K |
130 |
35 |
6508 |
◊ |
J |
x,y,z |
1_555 |
146 |
42 |
15281 |
1326.1 |
-8.7 |
0.182 |
16 |
9 |
0 |
1.000 |
6 |
|
H |
127 |
31 |
6592 |
◊ |
G |
x,y,z |
1_555 |
148 |
44 |
15336 |
1320.4 |
-8.1 |
0.249 |
18 |
7 |
0 |
1.000 |
7 |
|
E |
126 |
33 |
6614 |
◊ |
D |
x,y,z |
1_555 |
139 |
42 |
15292 |
1278.0 |
-7.6 |
0.209 |
18 |
7 |
0 |
1.000 |
8 |
|
B |
126 |
33 |
6537 |
◊ |
A |
x,y,z |
1_555 |
145 |
41 |
14863 |
1247.5 |
-8.8 |
0.215 |
17 |
6 |
0 |
1.000 |
Average: |
1293.0 |
-8.3 |
0.214 |
17 |
7 |
0 |
1.000 |
3 |
9 |
|
F |
64 |
9 |
1471 |
◊ |
D |
x,y,z |
1_555 |
116 |
35 |
15292 |
871.7 |
-13.7 |
0.256 |
13 |
4 |
0 |
1.000 |
10 |
|
I |
63 |
9 |
1448 |
◊ |
G |
x,y,z |
1_555 |
115 |
36 |
15336 |
869.6 |
-14.5 |
0.217 |
12 |
4 |
0 |
1.000 |
11 |
|
L |
65 |
9 |
1436 |
◊ |
J |
x,y,z |
1_555 |
119 |
36 |
15281 |
861.3 |
-14.2 |
0.215 |
13 |
3 |
0 |
1.000 |
12 |
|
C |
63 |
9 |
1453 |
◊ |
A |
x,y,z |
1_555 |
119 |
36 |
14863 |
850.9 |
-13.6 |
0.270 |
13 |
7 |
0 |
1.000 |
Average: |
863.4 |
-14.0 |
0.240 |
13 |
5 |
0 |
1.000 |
4 |
13 |
|
O |
82 |
27 |
11958 |
◊ |
M |
x,y,z |
1_555 |
79 |
27 |
11957 |
759.9 |
-2.4 |
0.808 |
6 |
0 |
0 |
0.000 |
14 |
|
S |
77 |
23 |
11882 |
◊ |
Q |
x,y,z |
1_555 |
85 |
27 |
11919 |
719.2 |
-2.7 |
0.779 |
7 |
0 |
0 |
0.000 |
Average: |
739.5 |
-2.5 |
0.793 |
7 |
0 |
0 |
0.000 |
5 |
15 |
|
G |
49 |
17 |
15336 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
47 |
14 |
11550 |
457.0 |
-0.1 |
0.612 |
4 |
0 |
0 |
0.000 |
6 |
16 |
|
G |
50 |
15 |
15336 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
47 |
12 |
11791 |
435.3 |
-2.6 |
0.368 |
4 |
2 |
0 |
0.000 |
17 |
|
N |
52 |
13 |
11725 |
◊ |
A |
x-1,y,z |
1_455 |
49 |
14 |
14863 |
430.9 |
-1.6 |
0.492 |
3 |
2 |
0 |
0.000 |
18 |
|
P |
50 |
12 |
11550 |
◊ |
D |
x,y,z |
1_555 |
57 |
14 |
15292 |
422.6 |
-2.7 |
0.373 |
6 |
2 |
0 |
0.000 |
19 |
|
J |
45 |
14 |
15281 |
◊ |
T |
x-1,y,z |
1_455 |
49 |
11 |
11539 |
383.6 |
-1.5 |
0.497 |
3 |
2 |
0 |
0.000 |
Average: |
418.1 |
-2.1 |
0.432 |
4 |
2 |
0 |
0.000 |
7 |
20 |
|
J |
46 |
11 |
15281 |
◊ |
D |
x,y,z |
1_555 |
51 |
10 |
15292 |
411.6 |
3.8 |
0.836 |
0 |
4 |
0 |
0.000 |
8 |
21 |
|
J |
39 |
14 |
15281 |
◊ |
S |
x-1,y,z |
1_455 |
48 |
13 |
11882 |
409.3 |
-2.9 |
0.396 |
4 |
0 |
0 |
0.000 |
22 |
|
M |
46 |
12 |
11957 |
◊ |
A |
x-1,y,z |
1_455 |
44 |
14 |
14863 |
408.1 |
-2.4 |
0.491 |
4 |
0 |
0 |
0.000 |
23 |
|
O |
51 |
11 |
11958 |
◊ |
D |
x,y,z |
1_555 |
42 |
13 |
15292 |
402.9 |
-2.5 |
0.497 |
4 |
2 |
0 |
0.000 |
24 |
|
G |
38 |
13 |
15336 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
46 |
12 |
11919 |
379.6 |
-1.7 |
0.559 |
3 |
0 |
0 |
0.000 |
Average: |
400.0 |
-2.4 |
0.486 |
4 |
1 |
0 |
0.000 |
9 |
25 |
|
D |
47 |
18 |
15292 |
◊ |
A |
x,y,z |
1_555 |
47 |
19 |
14863 |
387.6 |
2.7 |
0.795 |
2 |
0 |
0 |
0.000 |
26 |
|
G |
40 |
15 |
15336 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
34 |
15 |
15281 |
338.0 |
2.2 |
0.769 |
1 |
0 |
0 |
0.000 |
Average: |
362.8 |
2.4 |
0.782 |
2 |
0 |
0 |
0.000 |
10 |
27 |
|
G |
46 |
14 |
15336 |
◊ |
Q |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
13 |
11919 |
330.0 |
-3.1 |
0.391 |
1 |
0 |
0 |
0.000 |
28 |
|
O |
34 |
11 |
11958 |
◊ |
D |
x-1,y,z |
1_455 |
36 |
14 |
15292 |
294.5 |
-3.5 |
0.326 |
2 |
0 |
0 |
0.000 |
29 |
|
S |
31 |
12 |
11882 |
◊ |
J |
x,y,z |
1_555 |
30 |
11 |
15281 |
286.1 |
-3.5 |
0.286 |
0 |
0 |
0 |
0.000 |
30 |
|
M |
27 |
10 |
11957 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
14863 |
274.6 |
-3.9 |
0.256 |
0 |
0 |
0 |
0.000 |
Average: |
296.3 |
-3.5 |
0.315 |
1 |
0 |
0 |
0.000 |
11 |
31 |
|
M |
33 |
11 |
11957 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
38 |
11 |
11550 |
328.9 |
-0.9 |
0.643 |
2 |
0 |
0 |
0.000 |
12 |
32 |
|
O |
33 |
12 |
11958 |
◊ |
G |
x,y,z |
1_555 |
42 |
11 |
15336 |
315.7 |
-2.1 |
0.482 |
3 |
0 |
0 |
0.000 |
13 |
33 |
|
N |
34 |
11 |
11725 |
◊ |
T |
-x,y-1/2,-z |
2_545 |
32 |
10 |
11539 |
277.2 |
-2.6 |
0.386 |
3 |
0 |
0 |
0.000 |
14 |
34 |
|
L |
26 |
6 |
1436 |
◊ |
S |
x-1,y,z |
1_455 |
40 |
9 |
11882 |
266.4 |
-0.9 |
0.705 |
2 |
4 |
0 |
0.000 |
35 |
|
I |
24 |
6 |
1448 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
34 |
9 |
11919 |
264.3 |
-1.4 |
0.689 |
2 |
3 |
0 |
0.000 |
36 |
|
M |
36 |
8 |
11957 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
6 |
1453 |
258.3 |
-1.5 |
0.682 |
2 |
4 |
0 |
0.000 |
Average: |
263.0 |
-1.3 |
0.692 |
2 |
4 |
0 |
0.000 |
15 |
37 |
|
O |
38 |
10 |
11958 |
◊ |
F |
x,y,z |
1_555 |
23 |
6 |
1471 |
255.4 |
-2.7 |
0.571 |
1 |
1 |
0 |
0.000 |
16 |
38 |
|
O |
22 |
6 |
11958 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
8 |
6614 |
244.7 |
2.0 |
0.854 |
0 |
0 |
0 |
0.000 |
39 |
|
M |
18 |
5 |
11957 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
6537 |
190.3 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
13 |
5 |
6592 |
◊ |
Q |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
11919 |
130.5 |
-1.8 |
0.347 |
0 |
0 |
0 |
0.000 |
41 |
|
S |
16 |
5 |
11882 |
◊ |
K |
x,y,z |
1_555 |
20 |
7 |
6508 |
114.1 |
-0.6 |
0.555 |
0 |
0 |
0 |
0.000 |
Average: |
169.9 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
17 |
42 |
|
N |
31 |
10 |
11725 |
◊ |
R |
x-1,y-1,z |
1_445 |
29 |
11 |
11791 |
243.5 |
0.4 |
0.666 |
2 |
0 |
0 |
0.000 |
18 |
43 |
|
E |
26 |
8 |
6614 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
14863 |
233.5 |
-0.2 |
0.531 |
3 |
1 |
0 |
0.000 |
44 |
|
B |
23 |
5 |
6537 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
15292 |
231.6 |
1.1 |
0.695 |
3 |
1 |
0 |
0.000 |
45 |
|
G |
22 |
8 |
15336 |
◊ |
K |
-x,y-1/2,-z+1 |
2_546 |
23 |
5 |
6508 |
224.7 |
0.4 |
0.590 |
3 |
1 |
0 |
0.000 |
46 |
|
H |
21 |
6 |
6592 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
19 |
7 |
15281 |
198.2 |
-1.0 |
0.418 |
1 |
0 |
0 |
0.000 |
Average: |
222.0 |
0.1 |
0.559 |
3 |
1 |
0 |
0.000 |
19 |
47 |
|
O |
26 |
8 |
11958 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
22 |
6 |
11791 |
208.0 |
-0.1 |
0.602 |
2 |
0 |
0 |
0.000 |
20 |
48 |
|
G |
20 |
6 |
15336 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
15292 |
197.5 |
-0.3 |
0.472 |
0 |
0 |
0 |
0.000 |
21 |
49 |
|
N |
19 |
6 |
11725 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
6537 |
183.7 |
-0.0 |
0.612 |
2 |
0 |
0 |
0.000 |
50 |
|
H |
21 |
7 |
6592 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
11791 |
171.5 |
0.4 |
0.631 |
1 |
0 |
0 |
0.000 |
51 |
|
T |
19 |
8 |
11539 |
◊ |
K |
x,y,z |
1_555 |
19 |
8 |
6508 |
158.5 |
0.8 |
0.692 |
1 |
2 |
0 |
0.000 |
52 |
|
P |
15 |
6 |
11550 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
7 |
6614 |
142.0 |
-1.1 |
0.423 |
0 |
0 |
0 |
0.000 |
Average: |
163.9 |
0.0 |
0.589 |
1 |
1 |
0 |
0.000 |
22 |
53 |
|
P |
16 |
6 |
11550 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
18 |
8 |
11791 |
142.7 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
23 |
54 |
|
H |
15 |
6 |
6592 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
15292 |
122.4 |
-1.4 |
0.335 |
0 |
0 |
0 |
0.000 |
24 |
55 |
|
K |
12 |
3 |
6508 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
16 |
7 |
11919 |
120.2 |
-0.8 |
0.496 |
0 |
0 |
0 |
0.000 |
25 |
56 |
|
M |
15 |
5 |
11957 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
15292 |
115.0 |
-1.9 |
0.248 |
0 |
0 |
0 |
0.000 |
26 |
57 |
|
A |
15 |
4 |
14863 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
11550 |
114.6 |
0.3 |
0.635 |
1 |
0 |
0 |
0.000 |
27 |
58 |
|
P |
9 |
3 |
11550 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
1471 |
106.8 |
1.2 |
0.859 |
4 |
0 |
0 |
0.000 |
28 |
59 |
|
J |
14 |
6 |
15281 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
14863 |
102.1 |
-0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
29 |
60 |
|
L |
18 |
4 |
1436 |
◊ |
T |
x-1,y,z |
1_455 |
9 |
3 |
11539 |
100.1 |
0.7 |
0.835 |
2 |
0 |
0 |
0.000 |
61 |
|
N |
8 |
3 |
11725 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
4 |
1453 |
97.6 |
0.8 |
0.872 |
3 |
0 |
0 |
0.000 |
62 |
|
I |
16 |
4 |
1448 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
11791 |
87.7 |
0.3 |
0.794 |
2 |
0 |
0 |
0.000 |
Average: |
95.1 |
0.6 |
0.834 |
2 |
0 |
0 |
0.000 |
30 |
63 |
|
J |
8 |
3 |
15281 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
11 |
3 |
11919 |
84.3 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
N |
7 |
3 |
11725 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
11958 |
73.2 |
1.5 |
0.865 |
0 |
2 |
0 |
0.000 |
32 |
65 |
|
N |
10 |
5 |
11725 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
11550 |
71.2 |
0.3 |
0.692 |
1 |
0 |
0 |
0.000 |
33 |
66 |
|
N |
9 |
4 |
11725 |
◊ |
S |
-x,y-1/2,-z |
2_545 |
5 |
3 |
11882 |
67.1 |
-0.9 |
0.341 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
G |
9 |
2 |
15336 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
6614 |
49.8 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
M |
6 |
2 |
11957 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
6614 |
45.5 |
0.6 |
0.780 |
1 |
1 |
0 |
0.000 |
36 |
69 |
|
G |
3 |
1 |
15336 |
◊ |
S |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
11882 |
39.5 |
0.8 |
0.850 |
0 |
0 |
0 |
0.000 |
70 |
|
M |
4 |
2 |
11957 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15292 |
35.6 |
0.5 |
0.706 |
0 |
0 |
0 |
0.000 |
71 |
|
J |
2 |
1 |
15281 |
◊ |
Q |
x-1,y,z |
1_455 |
4 |
2 |
11919 |
23.0 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
72 |
|
O |
3 |
1 |
11958 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14863 |
14.1 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
Average: |
28.1 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
37 |
73 |
|
O |
9 |
4 |
11958 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
6592 |
38.5 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
38 |
74 |
|
T |
2 |
1 |
11539 |
◊ |
Q |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
11919 |
27.3 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
39 |
75 |
|
A |
3 |
1 |
14863 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
6614 |
25.5 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
40 |
76 |
|
A |
4 |
2 |
14863 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
6 |
2 |
15281 |
23.9 |
-0.5 |
0.396 |
0 |
0 |
0 |
0.000 |
41 |
77 |
|
T |
5 |
3 |
11539 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
2 |
15336 |
16.2 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
42 |
78 |
|
A |
2 |
1 |
14863 |
◊ |
S |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
11882 |
12.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
43 |
79 |
|
K |
1 |
1 |
6508 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
15336 |
10.2 |
0.3 |
0.780 |
0 |
0 |
0 |
0.000 |
44 |
80 |
|
B |
3 |
2 |
6537 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
2 |
2 |
6508 |
9.2 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
45 |
81 |
|
G |
2 |
1 |
15336 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
11791 |
5.4 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
82 |
|
N |
2 |
2 |
11725 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14863 |
1.9 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
83 |
|
T |
1 |
1 |
11539 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
15281 |
1.7 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
46 |
84 |
|
A |
1 |
1 |
14863 |
◊ |
T |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11539 |
5.3 |
-0.2 |
0.321 |
0 |
0 |
0 |
0.000 |
47 |
85 |
|
P |
1 |
1 |
11550 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
11957 |
4.9 |
0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
86 |
|
T |
1 |
1 |
11539 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
11919 |
2.9 |
0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
87 |
|
N |
1 |
1 |
11725 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
11958 |
2.9 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
88 |
|
R |
1 |
1 |
11791 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
11882 |
1.2 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
48 |
89 |
|
J |
3 |
2 |
15281 |
f |
[PO4]S:301 |
x-1,y,z |
1_455 |
2 |
1 |
189 |
4.8 |
-0.3 |
0.704 |
0 |
0 |
0 |
0.100 |
49 |
90 |
|
B |
1 |
1 |
6537 |
◊ |
R |
x,y-1,z |
1_545 |
1 |
1 |
11791 |
3.4 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
50 |
91 |
|
[PO4]S:301 |
1 |
1 |
189 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
11882 |
1.7 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
51 |
92 |
|
M |
1 |
1 |
11957 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
15292 |
0.2 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
|