## |
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 |
|
B |
225 |
63 |
23045 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
222 |
70 |
23045 |
2239.0 |
-30.3 |
0.433 |
24 |
17 |
0 |
0.000 |
2 |
|
Q |
220 |
61 |
22739 |
◊ |
Q |
-y+1/2,x+1/2,z |
3_555 |
229 |
71 |
22739 |
2215.6 |
-30.6 |
0.448 |
28 |
13 |
0 |
0.000 |
Average: |
2227.3 |
-30.5 |
0.441 |
26 |
15 |
0 |
0.000 |
2 |
3 |
|
A |
96 |
26 |
14414 |
◊ |
A |
-y+1/2,x+1/2,z |
3_555 |
101 |
29 |
14414 |
915.6 |
-2.2 |
0.666 |
20 |
14 |
0 |
0.000 |
4 |
|
P |
92 |
24 |
14512 |
◊ |
P |
-y+1/2,x+1/2,z |
3_555 |
102 |
29 |
14512 |
903.3 |
-2.8 |
0.626 |
22 |
13 |
0 |
0.000 |
Average: |
909.4 |
-2.5 |
0.646 |
21 |
14 |
0 |
0.000 |
3 |
5 |
|
Y |
162 |
32 |
3100 |
◊ |
Y |
-y+1/2,x+1/2,z |
3_555 |
183 |
35 |
3100 |
706.2 |
-6.5 |
0.265 |
25 |
2 |
1 |
0.000 |
4 |
6 |
|
[NAP]A:1001 |
48 |
1 |
917 |
◊ |
A |
x,y,z |
1_555 |
90 |
33 |
14414 |
646.2 |
-3.1 |
0.611 |
23 |
0 |
0 |
0.000 |
7 |
|
[NAP]P:1001 |
48 |
1 |
921 |
◊ |
P |
x,y,z |
1_555 |
93 |
33 |
14512 |
644.3 |
-3.2 |
0.597 |
21 |
0 |
0 |
0.000 |
Average: |
645.2 |
-3.1 |
0.604 |
22 |
0 |
0 |
0.000 |
5 |
8 |
|
Y |
160 |
33 |
3100 |
◊ |
Y |
-x,-y+1,z |
2_565 |
160 |
33 |
3100 |
603.7 |
-2.5 |
0.466 |
29 |
2 |
0 |
0.000 |
6 |
9 |
|
A |
57 |
16 |
14414 |
◊ |
P |
x-1/2,-y+1/2,-z+1 |
6_456 |
58 |
17 |
14512 |
546.0 |
-5.6 |
0.272 |
5 |
2 |
0 |
0.000 |
7 |
10 |
|
[PGW]B:516 |
33 |
1 |
911 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
23045 |
506.0 |
3.5 |
0.579 |
5 |
0 |
0 |
0.000 |
8 |
11 |
|
P |
48 |
13 |
14512 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
43 |
12 |
23045 |
400.2 |
-2.9 |
0.635 |
8 |
3 |
0 |
0.000 |
9 |
12 |
|
Q |
40 |
11 |
22739 |
◊ |
P |
x,y,z |
1_555 |
43 |
10 |
14512 |
372.7 |
-3.2 |
0.579 |
5 |
0 |
0 |
0.000 |
13 |
|
B |
40 |
11 |
23045 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
14414 |
371.5 |
-3.3 |
0.552 |
3 |
0 |
0 |
0.000 |
Average: |
372.1 |
-3.3 |
0.565 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
34 |
11 |
23045 |
◊ |
A |
-y,-x,-z+1 |
8_556 |
33 |
8 |
14414 |
297.0 |
-2.3 |
0.600 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[PGW]B:517 |
10 |
1 |
375 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
23045 |
225.6 |
-0.6 |
0.607 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[PGW]Q:504 |
20 |
1 |
591 |
◊ |
Q |
x,y,z |
1_555 |
28 |
9 |
22739 |
219.8 |
2.7 |
0.165 |
0 |
0 |
0 |
0.000 |
17 |
|
[PGW]B:504 |
18 |
1 |
584 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
23045 |
212.3 |
3.0 |
0.241 |
0 |
0 |
0 |
0.000 |
Average: |
216.0 |
2.8 |
0.203 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[PGW]B:513 |
12 |
1 |
430 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
23045 |
208.4 |
-2.9 |
0.369 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
B |
18 |
6 |
23045 |
◊ |
[PGW]B:504 |
-y+1/2,x+1/2,z |
3_555 |
17 |
1 |
584 |
195.4 |
2.2 |
0.142 |
1 |
0 |
0 |
0.000 |
20 |
|
Q |
21 |
8 |
22739 |
◊ |
[PGW]Q:504 |
-y+1/2,x+1/2,z |
3_555 |
17 |
1 |
591 |
188.1 |
1.9 |
0.157 |
1 |
0 |
0 |
0.000 |
Average: |
191.7 |
2.0 |
0.149 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
Y |
40 |
7 |
3100 |
◊ |
Q |
-y+1/2,x+1/2,z |
3_555 |
37 |
12 |
22739 |
190.9 |
-2.6 |
0.484 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
Q |
14 |
6 |
22739 |
◊ |
P |
y,x,-z+2 |
7_557 |
24 |
10 |
14512 |
180.3 |
-1.9 |
0.471 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[PGW]B:518 |
12 |
1 |
430 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
23045 |
179.6 |
-1.2 |
0.312 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
24 |
6 |
23045 |
◊ |
[PGW]B:514 |
-y+1/2,x+1/2,z |
3_555 |
20 |
1 |
579 |
176.6 |
2.3 |
0.349 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
Y |
29 |
10 |
3100 |
◊ |
Q |
-x,-y+1,z |
2_565 |
37 |
13 |
22739 |
158.9 |
-1.4 |
0.635 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[PGW]B:519 |
12 |
1 |
428 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
23045 |
158.0 |
-2.5 |
0.407 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[PGW]B:514 |
14 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
23045 |
155.7 |
-2.9 |
0.138 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
B |
21 |
9 |
23045 |
◊ |
[PGW]B:515 |
-y+1/2,x+1/2,z |
3_555 |
12 |
1 |
429 |
153.9 |
0.8 |
0.571 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
A |
17 |
5 |
14414 |
◊ |
Y |
-x,-y+1,z-1 |
2_564 |
17 |
4 |
3100 |
133.3 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
B |
17 |
7 |
23045 |
◊ |
[PGW]B:505 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
353 |
131.6 |
3.8 |
0.766 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
A |
12 |
4 |
14414 |
◊ |
B |
-y+1/2,x+1/2,z |
3_555 |
12 |
2 |
23045 |
126.3 |
-1.6 |
0.438 |
0 |
0 |
0 |
0.000 |
32 |
|
P |
13 |
4 |
14512 |
◊ |
Q |
-y+1/2,x+1/2,z |
3_555 |
11 |
2 |
22739 |
122.3 |
-1.8 |
0.367 |
0 |
0 |
0 |
0.000 |
Average: |
124.3 |
-1.7 |
0.403 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[PGW]B:507 |
9 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
23045 |
126.0 |
3.2 |
0.572 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
A |
15 |
6 |
14414 |
◊ |
Q |
-x,-y+1,z-1 |
2_564 |
10 |
4 |
22739 |
121.3 |
0.1 |
0.558 |
1 |
1 |
0 |
0.000 |
28 |
35 |
|
Y |
20 |
6 |
3100 |
◊ |
Q |
x,y,z |
1_555 |
22 |
9 |
22739 |
119.0 |
0.7 |
0.858 |
5 |
0 |
0 |
0.000 |
29 |
36 |
|
B |
14 |
7 |
23045 |
◊ |
[PGW]B:510 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
352 |
113.8 |
3.1 |
0.609 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[PGW]B:509 |
9 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
23045 |
113.5 |
2.4 |
0.307 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[PGW]B:511 |
7 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
23045 |
109.4 |
2.5 |
0.643 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[PGW]B:510 |
9 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
23045 |
108.8 |
2.1 |
0.363 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
B |
11 |
5 |
23045 |
◊ |
[PGW]B:506 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
354 |
106.3 |
2.4 |
0.458 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[PGW]B:512 |
9 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
23045 |
100.4 |
2.1 |
0.477 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
B |
7 |
4 |
23045 |
◊ |
[PGW]B:509 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
353 |
84.8 |
1.7 |
0.333 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
A |
12 |
4 |
14414 |
◊ |
Y |
-y+1/2,x+1/2,z-1 |
3_554 |
9 |
3 |
3100 |
82.2 |
0.8 |
0.713 |
0 |
4 |
0 |
0.000 |
37 |
44 |
|
[PGW]B:515 |
10 |
1 |
429 |
◊ |
[PGW]B:510 |
x,y,z |
1_555 |
9 |
1 |
352 |
80.6 |
3.6 |
0.739 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[PGW]B:508 |
6 |
1 |
356 |
◊ |
[PGW]B:506 |
x,y,z |
1_555 |
5 |
1 |
354 |
77.2 |
5.1 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
Q |
20 |
9 |
22739 |
◊ |
Y |
-y+1/2,x+1/2,z |
3_555 |
16 |
5 |
3100 |
73.9 |
-0.1 |
0.687 |
1 |
0 |
0 |
0.000 |
40 |
47 |
|
B |
4 |
2 |
23045 |
◊ |
[PGW]B:508 |
-y+1/2,x+1/2,z |
3_555 |
9 |
1 |
356 |
63.1 |
1.1 |
0.273 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[K]B:501 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
23045 |
61.3 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[K]Q:501 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
12 |
5 |
22739 |
58.4 |
-39.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
59.8 |
-40.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[K]Q:503 |
1 |
1 |
216 |
◊ |
[K]Q:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
[K]B:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
[K]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[PGW]B:506 |
5 |
1 |
354 |
◊ |
[PGW]B:505 |
x,y,z |
1_555 |
4 |
1 |
353 |
57.8 |
3.8 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
23045 |
56.6 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[K]Q:502 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
11 |
3 |
22739 |
56.1 |
-37.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
56.3 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[PGW]B:505 |
7 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23045 |
53.8 |
1.2 |
0.552 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
[K]Q:502 |
1 |
1 |
216 |
◊ |
[K]Q:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
52.7 |
-52.7 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[PGW]B:515 |
6 |
1 |
429 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
23045 |
52.7 |
-0.3 |
0.314 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[PGW]B:507 |
5 |
1 |
355 |
◊ |
[PGW]B:505 |
x,y,z |
1_555 |
7 |
1 |
353 |
51.8 |
3.4 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
60 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
23045 |
50.4 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[K]Q:503 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
9 |
3 |
22739 |
49.5 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
49.9 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[PGW]B:504 |
7 |
1 |
584 |
◊ |
[PGW]B:509 |
-y+1/2,x+1/2,z |
3_555 |
8 |
1 |
353 |
50.3 |
1.5 |
0.166 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[PGW]B:508 |
7 |
1 |
356 |
◊ |
[PGW]B:504 |
x,y,z |
1_555 |
3 |
1 |
584 |
49.6 |
3.0 |
0.736 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[PGW]B:512 |
8 |
1 |
352 |
◊ |
[PGW]B:509 |
x,y,z |
1_555 |
7 |
1 |
353 |
45.3 |
3.0 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
[PGW]B:507 |
4 |
1 |
355 |
◊ |
[PGW]B:506 |
x,y,z |
1_555 |
8 |
1 |
354 |
42.1 |
2.8 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
66 |
|
[PGW]B:511 |
4 |
1 |
297 |
◊ |
[PGW]B:514 |
-y+1/2,x+1/2,z |
3_555 |
5 |
1 |
579 |
37.7 |
2.5 |
0.675 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
B |
7 |
4 |
23045 |
◊ |
B |
-y,-x,-z+1 |
8_556 |
5 |
3 |
23045 |
31.4 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
[PGW]B:511 |
2 |
1 |
297 |
◊ |
[PGW]B:510 |
x,y,z |
1_555 |
2 |
1 |
352 |
30.4 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
69 |
|
A |
2 |
1 |
14414 |
◊ |
Q |
x,y,z-1 |
1_554 |
3 |
2 |
22739 |
29.8 |
0.9 |
0.916 |
1 |
1 |
0 |
0.000 |
60 |
70 |
|
[PGW]B:508 |
2 |
1 |
356 |
◊ |
[PGW]B:512 |
-y+1/2,x+1/2,z |
3_555 |
4 |
1 |
352 |
27.8 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
71 |
|
[PGW]B:508 |
2 |
1 |
356 |
◊ |
[PGW]B:509 |
-y+1/2,x+1/2,z |
3_555 |
3 |
1 |
353 |
27.7 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
72 |
|
[PGW]B:516 |
1 |
1 |
911 |
◊ |
[PGW]B:515 |
x,y,z |
1_555 |
4 |
1 |
429 |
23.3 |
0.7 |
0.668 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[PGW]B:509 |
1 |
1 |
353 |
◊ |
B |
-x,-y+1,z |
2_565 |
1 |
1 |
23045 |
17.6 |
0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
[K]Q:501 |
1 |
1 |
216 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
3100 |
16.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[K]B:503 |
1 |
1 |
216 |
◊ |
[K]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[NAP]A:1001 |
2 |
1 |
917 |
◊ |
P |
x-1/2,-y+1/2,-z+1 |
6_456 |
1 |
1 |
14512 |
9.7 |
0.5 |
0.716 |
0 |
0 |
0 |
0.000 |
67 |
77 |
|
[PGW]B:515 |
2 |
1 |
429 |
◊ |
[PGW]B:506 |
x,y,z |
1_555 |
1 |
1 |
354 |
9.5 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
68 |
78 |
|
[K]Q:503 |
1 |
1 |
216 |
◊ |
[K]Q:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
79 |
|
B |
2 |
2 |
23045 |
◊ |
[PGW]B:516 |
-y+1/2,x+1/2,z |
3_555 |
1 |
1 |
911 |
7.7 |
0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[PGW]B:515 |
1 |
1 |
429 |
◊ |
[PGW]B:508 |
x,y,z |
1_555 |
1 |
1 |
356 |
4.9 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
71 |
81 |
|
[PGW]B:513 |
1 |
1 |
430 |
◊ |
[PGW]B:512 |
x,y,z |
1_555 |
1 |
1 |
352 |
4.2 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
B |
3 |
3 |
23045 |
◊ |
B |
-x,-y+1,z |
2_565 |
3 |
3 |
23045 |
3.4 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
83 |
|
Q |
3 |
3 |
22739 |
◊ |
Q |
-x,-y+1,z |
2_565 |
3 |
3 |
22739 |
1.5 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
Average: |
2.4 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
[PGW]B:519 |
1 |
1 |
428 |
◊ |
[PGW]B:517 |
x,y,z |
1_555 |
1 |
1 |
375 |
2.7 |
-0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
74 |
85 |
|
Q |
1 |
1 |
22739 |
◊ |
A |
-y+1/2,x+1/2,z+1 |
3_556 |
1 |
1 |
14414 |
2.3 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
75 |
86 |
|
[PGW]B:515 |
1 |
1 |
429 |
◊ |
[PGW]B:511 |
x,y,z |
1_555 |
1 |
1 |
297 |
1.4 |
0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
76 |
87 |
|
[PGW]B:516 |
1 |
1 |
911 |
◊ |
[PGW]B:510 |
x,y,z |
1_555 |
1 |
1 |
352 |
0.8 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
|