## |
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 |
|
R |
289 |
71 |
9641 |
◊ |
D |
x,y,z |
1_555 |
274 |
80 |
39526 |
2797.0 |
-34.7 |
0.028 |
18 |
16 |
0 |
0.573 |
2 |
|
O |
291 |
71 |
9640 |
◊ |
A |
x,y,z |
1_555 |
269 |
80 |
39528 |
2796.3 |
-34.8 |
0.027 |
17 |
16 |
0 |
0.573 |
3 |
|
S |
292 |
71 |
9643 |
◊ |
E |
x,y,z |
1_555 |
272 |
79 |
39527 |
2794.3 |
-34.7 |
0.030 |
18 |
16 |
0 |
0.573 |
4 |
|
P |
286 |
71 |
9639 |
◊ |
B |
x,y,z |
1_555 |
274 |
80 |
39514 |
2793.4 |
-33.0 |
0.045 |
18 |
16 |
0 |
0.573 |
5 |
|
T |
288 |
71 |
9637 |
◊ |
F |
x,y,z |
1_555 |
276 |
81 |
39528 |
2791.6 |
-34.5 |
0.031 |
18 |
16 |
0 |
0.573 |
6 |
|
Q |
290 |
71 |
9637 |
◊ |
C |
x,y,z |
1_555 |
273 |
81 |
39485 |
2790.0 |
-34.6 |
0.030 |
17 |
16 |
0 |
0.573 |
Average: |
2793.8 |
-34.4 |
0.032 |
18 |
16 |
0 |
0.573 |
2 |
7 |
|
D |
152 |
47 |
39526 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
148 |
45 |
39514 |
1507.3 |
-8.7 |
0.372 |
9 |
0 |
0 |
0.000 |
8 |
|
E |
147 |
46 |
39527 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
152 |
47 |
39528 |
1492.9 |
-8.5 |
0.374 |
9 |
0 |
0 |
0.000 |
9 |
|
C |
147 |
45 |
39485 |
◊ |
C |
-x+2,y,-z+1 |
2_756 |
148 |
46 |
39485 |
1484.8 |
-9.0 |
0.351 |
8 |
0 |
0 |
0.000 |
10 |
|
F |
147 |
45 |
39528 |
◊ |
F |
-x,y,-z+2 |
2_557 |
147 |
45 |
39528 |
1480.5 |
-8.4 |
0.380 |
8 |
0 |
0 |
0.000 |
Average: |
1491.4 |
-8.7 |
0.370 |
9 |
0 |
0 |
0.000 |
3 |
11 |
|
E |
88 |
30 |
39527 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
86 |
29 |
39526 |
809.6 |
1.3 |
0.789 |
6 |
4 |
0 |
0.000 |
12 |
|
F |
86 |
29 |
39528 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
86 |
29 |
39485 |
800.5 |
1.6 |
0.800 |
6 |
4 |
0 |
0.000 |
13 |
|
B |
84 |
29 |
39514 |
◊ |
A |
-x+1,y,-z |
2_655 |
85 |
29 |
39528 |
788.0 |
1.8 |
0.809 |
6 |
4 |
0 |
0.000 |
Average: |
799.4 |
1.6 |
0.799 |
6 |
4 |
0 |
0.000 |
4 |
14 |
|
C |
75 |
24 |
39485 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
75 |
24 |
39528 |
659.6 |
2.6 |
0.839 |
7 |
0 |
0 |
0.000 |
15 |
|
B |
74 |
24 |
39514 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
74 |
24 |
39514 |
652.5 |
2.4 |
0.834 |
6 |
0 |
0 |
0.000 |
16 |
|
F |
75 |
24 |
39528 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
74 |
24 |
39526 |
651.8 |
2.5 |
0.837 |
6 |
0 |
0 |
0.000 |
17 |
|
E |
72 |
23 |
39527 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
72 |
23 |
39527 |
641.1 |
4.5 |
0.907 |
6 |
0 |
0 |
0.000 |
Average: |
651.3 |
3.0 |
0.854 |
6 |
0 |
0 |
0.000 |
5 |
18 |
|
O |
37 |
12 |
9640 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
43 |
16 |
39514 |
366.0 |
-0.2 |
0.695 |
2 |
0 |
0 |
0.000 |
19 |
|
Q |
37 |
12 |
9637 |
◊ |
F |
-x+1,y,-z+2 |
2_657 |
44 |
16 |
39528 |
366.0 |
-0.2 |
0.695 |
2 |
0 |
0 |
0.000 |
20 |
|
T |
37 |
12 |
9637 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
43 |
16 |
39485 |
365.2 |
-0.2 |
0.690 |
2 |
0 |
0 |
0.000 |
21 |
|
P |
35 |
12 |
9639 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
42 |
16 |
39528 |
363.3 |
-0.2 |
0.687 |
2 |
0 |
0 |
0.000 |
22 |
|
S |
36 |
12 |
9643 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
42 |
16 |
39526 |
361.8 |
-0.2 |
0.691 |
2 |
0 |
0 |
0.000 |
23 |
|
R |
37 |
12 |
9641 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
42 |
16 |
39527 |
360.8 |
-0.3 |
0.688 |
2 |
0 |
0 |
0.000 |
Average: |
363.8 |
-0.2 |
0.691 |
2 |
0 |
0 |
0.000 |
6 |
24 |
|
F |
38 |
13 |
39528 |
◊ |
E |
x,y,z |
1_555 |
27 |
10 |
39527 |
278.0 |
-0.7 |
0.546 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
39 |
13 |
39485 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
39514 |
277.8 |
-0.8 |
0.548 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
36 |
13 |
39526 |
◊ |
C |
x,y,z |
1_555 |
26 |
9 |
39485 |
277.5 |
-0.7 |
0.539 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
37 |
13 |
39528 |
◊ |
F |
x,y,z-1 |
1_554 |
25 |
9 |
39528 |
271.6 |
-0.7 |
0.548 |
0 |
0 |
0 |
0.000 |
28 |
|
E |
36 |
13 |
39527 |
◊ |
D |
x,y,z |
1_555 |
25 |
9 |
39526 |
268.0 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
35 |
13 |
39514 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
39528 |
263.3 |
-0.8 |
0.537 |
0 |
0 |
0 |
0.000 |
Average: |
272.7 |
-0.7 |
0.543 |
0 |
0 |
0 |
0.000 |
7 |
30 |
|
F |
32 |
8 |
39528 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
32 |
8 |
39514 |
245.9 |
0.8 |
0.729 |
2 |
8 |
0 |
0.000 |
31 |
|
E |
32 |
8 |
39527 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
30 |
8 |
39485 |
244.1 |
0.9 |
0.735 |
2 |
8 |
0 |
0.000 |
32 |
|
A |
31 |
8 |
39528 |
◊ |
A |
-x+1,y,-z |
2_655 |
30 |
8 |
39528 |
242.3 |
0.8 |
0.727 |
2 |
8 |
0 |
0.000 |
33 |
|
D |
31 |
8 |
39526 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
31 |
8 |
39526 |
240.9 |
0.8 |
0.731 |
2 |
8 |
0 |
0.000 |
Average: |
243.3 |
0.8 |
0.730 |
2 |
8 |
0 |
0.000 |
8 |
34 |
|
E |
22 |
7 |
39527 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
22 |
7 |
39485 |
217.8 |
1.5 |
0.793 |
2 |
0 |
0 |
0.000 |
35 |
|
D |
22 |
7 |
39526 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
22 |
7 |
39526 |
217.7 |
1.4 |
0.788 |
2 |
0 |
0 |
0.000 |
36 |
|
F |
22 |
7 |
39528 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
22 |
7 |
39514 |
217.6 |
1.5 |
0.792 |
2 |
0 |
0 |
0.000 |
37 |
|
A |
22 |
7 |
39528 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
21 |
7 |
39528 |
216.4 |
1.5 |
0.792 |
2 |
0 |
0 |
0.000 |
Average: |
217.4 |
1.4 |
0.791 |
2 |
0 |
0 |
0.000 |
9 |
38 |
|
S |
19 |
7 |
9643 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
11 |
39528 |
168.9 |
1.6 |
0.819 |
2 |
1 |
0 |
0.000 |
39 |
|
D |
25 |
11 |
39526 |
◊ |
P |
-x+3/2,y-1/2,-z+1 |
4_646 |
19 |
7 |
9639 |
168.7 |
1.7 |
0.823 |
2 |
1 |
0 |
0.000 |
40 |
|
R |
19 |
7 |
9641 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
26 |
11 |
39514 |
167.2 |
1.7 |
0.826 |
2 |
1 |
0 |
0.000 |
41 |
|
E |
25 |
10 |
39527 |
◊ |
O |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
6 |
9640 |
164.9 |
1.7 |
0.828 |
2 |
1 |
0 |
0.000 |
42 |
|
Q |
18 |
6 |
9637 |
◊ |
C |
-x+2,y,-z+1 |
2_756 |
24 |
10 |
39485 |
163.2 |
1.7 |
0.830 |
2 |
1 |
0 |
0.000 |
43 |
|
T |
18 |
6 |
9637 |
◊ |
F |
-x,y,-z+2 |
2_557 |
25 |
10 |
39528 |
160.7 |
1.7 |
0.827 |
2 |
1 |
0 |
0.000 |
Average: |
165.6 |
1.7 |
0.826 |
2 |
1 |
0 |
0.000 |
10 |
44 |
|
R |
18 |
6 |
9641 |
◊ |
P |
-x+3/2,y-1/2,-z+1 |
4_646 |
18 |
6 |
9639 |
160.4 |
2.2 |
0.894 |
0 |
6 |
0 |
0.000 |
45 |
|
T |
17 |
6 |
9637 |
◊ |
T |
-x,y,-z+2 |
2_557 |
18 |
6 |
9637 |
159.9 |
2.3 |
0.896 |
0 |
6 |
0 |
0.000 |
46 |
|
S |
18 |
6 |
9643 |
◊ |
O |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
6 |
9640 |
159.9 |
2.2 |
0.896 |
0 |
6 |
0 |
0.000 |
47 |
|
Q |
18 |
6 |
9637 |
◊ |
Q |
-x+2,y,-z+1 |
2_756 |
18 |
6 |
9637 |
159.4 |
2.3 |
0.897 |
0 |
6 |
0 |
0.000 |
Average: |
159.9 |
2.2 |
0.896 |
0 |
6 |
0 |
0.000 |
11 |
48 |
|
S |
15 |
4 |
9643 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
39485 |
142.0 |
-0.4 |
0.598 |
1 |
0 |
0 |
0.000 |
49 |
|
P |
15 |
4 |
9639 |
◊ |
F |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
39528 |
140.0 |
-0.4 |
0.599 |
1 |
0 |
0 |
0.000 |
50 |
|
Q |
15 |
4 |
9637 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
39527 |
139.6 |
-0.3 |
0.603 |
1 |
0 |
0 |
0.000 |
51 |
|
R |
15 |
4 |
9641 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
39526 |
138.9 |
-0.3 |
0.602 |
1 |
0 |
0 |
0.000 |
52 |
|
T |
15 |
4 |
9637 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
39514 |
138.6 |
-0.3 |
0.614 |
1 |
0 |
0 |
0.000 |
53 |
|
O |
15 |
4 |
9640 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
17 |
5 |
39528 |
135.9 |
-0.3 |
0.602 |
1 |
0 |
0 |
0.000 |
Average: |
139.2 |
-0.3 |
0.603 |
1 |
0 |
0 |
0.000 |
12 |
54 |
|
E |
9 |
4 |
39527 |
◊ |
B |
x-1/2,y-1/2,z+1 |
3_446 |
11 |
5 |
39514 |
88.1 |
0.3 |
0.652 |
1 |
2 |
0 |
0.000 |
55 |
|
E |
11 |
5 |
39527 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
9 |
4 |
39514 |
87.2 |
0.2 |
0.649 |
1 |
2 |
0 |
0.000 |
56 |
|
A |
8 |
4 |
39528 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
11 |
5 |
39526 |
84.7 |
0.3 |
0.671 |
1 |
2 |
0 |
0.000 |
57 |
|
A |
11 |
5 |
39528 |
◊ |
D |
x-1/2,y+1/2,z-1 |
3_454 |
8 |
4 |
39526 |
83.0 |
0.4 |
0.674 |
1 |
2 |
0 |
0.000 |
58 |
|
F |
9 |
4 |
39528 |
◊ |
C |
x-1,y,z+1 |
1_456 |
11 |
5 |
39485 |
82.5 |
0.2 |
0.648 |
1 |
2 |
0 |
0.000 |
59 |
|
F |
11 |
5 |
39528 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
39485 |
81.8 |
0.2 |
0.652 |
1 |
2 |
0 |
0.000 |
Average: |
84.5 |
0.3 |
0.658 |
1 |
2 |
0 |
0.000 |
13 |
60 |
|
B |
6 |
2 |
39514 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
39528 |
58.5 |
2.1 |
0.917 |
2 |
2 |
0 |
0.000 |
61 |
|
F |
6 |
2 |
39528 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
6 |
2 |
39485 |
58.1 |
2.1 |
0.916 |
2 |
2 |
0 |
0.000 |
62 |
|
E |
6 |
2 |
39527 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
6 |
2 |
39526 |
58.0 |
2.0 |
0.914 |
2 |
2 |
0 |
0.000 |
Average: |
58.2 |
2.0 |
0.915 |
2 |
2 |
0 |
0.000 |
14 |
63 |
|
[MG]D:904 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
39526 |
53.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.106 |
64 |
|
[MG]E:905 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
39527 |
53.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.106 |
65 |
|
[MG]F:906 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
39528 |
53.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.106 |
66 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
39528 |
53.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.106 |
67 |
|
[MG]B:902 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
39514 |
53.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.106 |
68 |
|
[MG]C:903 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
39485 |
52.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
53.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.106 |
15 |
69 |
|
[CA]S:709 |
1 |
1 |
85 |
f |
S |
x,y,z |
1_555 |
6 |
3 |
9643 |
44.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
70 |
|
[CA]R:707 |
1 |
1 |
85 |
f |
R |
x,y,z |
1_555 |
7 |
4 |
9641 |
44.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
71 |
|
[CA]Q:705 |
1 |
1 |
85 |
f |
Q |
x,y,z |
1_555 |
7 |
4 |
9637 |
44.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.156 |
72 |
|
[CA]T:711 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
6 |
3 |
9637 |
44.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.156 |
73 |
|
[CA]P:703 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
6 |
3 |
9639 |
44.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
74 |
|
[CA]O:701 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
6 |
3 |
9640 |
44.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
44.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.156 |
16 |
75 |
|
[CA]P:803 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
5 |
4 |
9639 |
42.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
76 |
|
[CA]S:809 |
1 |
1 |
85 |
f |
S |
x,y,z |
1_555 |
5 |
4 |
9643 |
42.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
77 |
|
[CA]O:801 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
5 |
4 |
9640 |
42.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
78 |
|
[CA]T:811 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
4 |
4 |
9637 |
42.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
79 |
|
[CA]R:807 |
1 |
1 |
85 |
f |
R |
x,y,z |
1_555 |
4 |
3 |
9641 |
42.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
80 |
|
[CA]Q:805 |
1 |
1 |
85 |
f |
Q |
x,y,z |
1_555 |
4 |
4 |
9637 |
42.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
42.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.164 |
17 |
81 |
|
[CA]R:808 |
1 |
1 |
85 |
f |
R |
x,y,z |
1_555 |
3 |
3 |
9641 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
82 |
|
[CA]T:812 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
3 |
3 |
9637 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
83 |
|
[CA]Q:806 |
1 |
1 |
85 |
f |
Q |
x,y,z |
1_555 |
1 |
1 |
9637 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
84 |
|
[CA]O:802 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
1 |
1 |
9640 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
85 |
|
[CA]P:804 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
9639 |
42.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
18 |
86 |
|
T |
3 |
1 |
9637 |
◊ |
Q |
-x+1,y,-z+2 |
2_657 |
3 |
1 |
9637 |
19.9 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
87 |
|
P |
3 |
1 |
9639 |
◊ |
O |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
9640 |
19.6 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
88 |
|
S |
3 |
1 |
9643 |
◊ |
R |
-x+1,y,-z+2 |
2_657 |
3 |
1 |
9641 |
19.5 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
Average: |
19.7 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
|