| ## |
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 |
|
D |
53 |
8 |
2132 |
◊ |
C |
x,y,z |
1_555 |
51 |
8 |
2141 |
465.4 |
-6.0 |
0.771 |
16 |
0 |
0 |
0.556 |
2 |
|
B |
49 |
8 |
2134 |
◊ |
A |
x,y,z |
1_555 |
51 |
8 |
2136 |
464.9 |
-5.8 |
0.766 |
16 |
0 |
0 |
0.556 |
| Average: |
465.2 |
-5.9 |
0.768 |
16 |
0 |
0 |
0.556 |
| 2 |
3 |
|
[CBR]A:7 |
20 |
1 |
440 |
cf |
A |
x,y,z |
1_555 |
33 |
2 |
2136 |
248.6 |
3.7 |
0.743 |
0 |
0 |
0 |
0.000 |
4 |
|
[CBR]D:34 |
20 |
1 |
436 |
cf |
D |
x,y,z |
1_555 |
32 |
2 |
2132 |
247.4 |
3.5 |
0.734 |
0 |
0 |
0 |
0.000 |
5 |
|
[CBR]B:16 |
20 |
1 |
439 |
cf |
B |
x,y,z |
1_555 |
32 |
2 |
2134 |
246.4 |
3.8 |
0.752 |
0 |
0 |
0 |
0.000 |
6 |
|
[CBR]C:25 |
20 |
1 |
436 |
cf |
C |
x,y,z |
1_555 |
32 |
2 |
2141 |
244.7 |
3.8 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
246.8 |
3.7 |
0.745 |
0 |
0 |
0 |
0.000 |
| 3 |
7 |
|
A |
17 |
2 |
2136 |
◊ |
A |
y,x,-z+3/4 |
7_555 |
17 |
2 |
2136 |
128.3 |
-0.6 |
0.730 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
17 |
2 |
2132 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
16 |
2 |
2134 |
127.0 |
-0.4 |
0.739 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
17 |
2 |
2141 |
◊ |
C |
-y+1,-x+1,-z+5/4 |
8_666 |
17 |
2 |
2141 |
125.0 |
-0.3 |
0.749 |
2 |
0 |
0 |
0.000 |
| Average: |
126.8 |
-0.4 |
0.739 |
1 |
0 |
0 |
0.000 |
| 4 |
10 |
|
D |
16 |
1 |
2132 |
◊ |
D |
-y+1,-x+1,-z+5/4 |
8_666 |
16 |
1 |
2132 |
103.8 |
2.1 |
0.856 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
16 |
1 |
2141 |
◊ |
A |
x,-y+1,-z+1/2 |
6_565 |
16 |
1 |
2136 |
102.1 |
2.0 |
0.851 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
16 |
1 |
2134 |
◊ |
B |
y,x,-z+3/4 |
7_555 |
16 |
1 |
2134 |
102.0 |
1.9 |
0.850 |
0 |
0 |
0 |
0.000 |
| Average: |
102.6 |
2.0 |
0.852 |
0 |
0 |
0 |
0.000 |
| 5 |
13 |
|
C |
15 |
1 |
2141 |
◊ |
C |
-x+2,y,-z+1 |
5_756 |
15 |
1 |
2141 |
97.6 |
3.1 |
0.893 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
15 |
1 |
2134 |
◊ |
B |
x,-y+2,-z+1/2 |
6_575 |
15 |
1 |
2134 |
96.8 |
2.5 |
0.870 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
15 |
1 |
2136 |
◊ |
A |
x,-y+1,-z+1/2 |
6_565 |
15 |
1 |
2136 |
95.7 |
2.8 |
0.883 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
15 |
1 |
2132 |
◊ |
D |
-x+1,y,-z+1 |
5_656 |
15 |
1 |
2132 |
94.8 |
3.0 |
0.890 |
0 |
0 |
0 |
0.000 |
| Average: |
96.2 |
2.8 |
0.884 |
0 |
0 |
0 |
0.000 |
| 6 |
17 |
|
B |
11 |
2 |
2134 |
◊ |
A |
x,-y+2,-z+1/2 |
6_575 |
11 |
2 |
2136 |
89.8 |
-1.2 |
0.605 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
11 |
2 |
2132 |
◊ |
C |
-x+1,y,-z+1 |
5_656 |
9 |
2 |
2141 |
89.4 |
-1.4 |
0.565 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
10 |
2 |
2132 |
◊ |
C |
-x+2,y,-z+1 |
5_756 |
11 |
2 |
2141 |
89.2 |
-1.3 |
0.584 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
10 |
2 |
2134 |
◊ |
A |
x,-y+1,-z+1/2 |
6_565 |
11 |
2 |
2136 |
88.5 |
-1.2 |
0.590 |
0 |
0 |
0 |
0.000 |
| Average: |
89.2 |
-1.3 |
0.586 |
0 |
0 |
0 |
0.000 |
| 7 |
21 |
|
[CBR]D:34 |
8 |
1 |
436 |
◊ |
B |
y,x,-z+3/4 |
7_555 |
8 |
2 |
2134 |
72.2 |
-0.2 |
0.491 |
0 |
0 |
0 |
0.000 |
22 |
|
[CBR]C:25 |
8 |
1 |
436 |
◊ |
A |
y,x,-z+3/4 |
7_555 |
8 |
2 |
2136 |
70.0 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
71.1 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 8 |
23 |
|
[CBR]D:34 |
5 |
1 |
436 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
2141 |
68.9 |
-0.1 |
0.538 |
3 |
0 |
0 |
0.134 |
24 |
|
[CBR]B:16 |
5 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
2136 |
68.5 |
-0.4 |
0.525 |
3 |
0 |
0 |
0.134 |
25 |
|
[CBR]C:25 |
5 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
2132 |
68.2 |
-0.2 |
0.534 |
3 |
0 |
0 |
0.134 |
26 |
|
[CBR]A:7 |
5 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
2134 |
68.0 |
-0.3 |
0.526 |
3 |
0 |
0 |
0.134 |
| Average: |
68.4 |
-0.3 |
0.531 |
3 |
0 |
0 |
0.134 |
| 9 |
27 |
|
C |
8 |
2 |
2141 |
◊ |
A |
y,x,-z+3/4 |
7_555 |
7 |
2 |
2136 |
63.1 |
-2.9 |
0.404 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
8 |
2 |
2132 |
◊ |
B |
y,x,-z+3/4 |
7_555 |
7 |
2 |
2134 |
58.3 |
-2.6 |
0.423 |
0 |
0 |
0 |
0.000 |
| Average: |
60.7 |
-2.7 |
0.413 |
0 |
0 |
0 |
0.000 |
| 10 |
29 |
|
C |
5 |
1 |
2141 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
5 |
1 |
2134 |
38.5 |
0.9 |
0.712 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
5 |
1 |
2134 |
◊ |
A |
y,x,-z+3/4 |
7_555 |
5 |
1 |
2136 |
32.5 |
0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
5 |
1 |
2132 |
◊ |
C |
-y+1,-x+1,-z+5/4 |
8_666 |
5 |
1 |
2141 |
31.8 |
0.8 |
0.703 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
3 |
1 |
2132 |
◊ |
A |
x,-y+1,-z+1/2 |
6_565 |
5 |
1 |
2136 |
26.6 |
0.7 |
0.680 |
0 |
0 |
0 |
0.000 |
| Average: |
32.4 |
0.8 |
0.699 |
0 |
0 |
0 |
0.000 |
| 11 |
33 |
|
[CA]B:104 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
2134 |
35.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.649 |
34 |
|
[CA]A:103 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
2136 |
35.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.649 |
35 |
|
[CA]C:101 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
2141 |
33.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.649 |
36 |
|
[CA]D:102 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
2132 |
32.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.649 |
| Average: |
34.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.649 |
| 12 |
37 |
|
[CA]B:104 |
1 |
1 |
85 |
◊ |
A |
x,-y+2,-z+1/2 |
6_575 |
3 |
1 |
2136 |
29.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CA]D:102 |
1 |
1 |
85 |
◊ |
C |
-x+1,y,-z+1 |
5_656 |
3 |
1 |
2141 |
29.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[CA]C:101 |
1 |
1 |
85 |
◊ |
D |
-x+2,y,-z+1 |
5_756 |
3 |
1 |
2132 |
29.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[CA]A:103 |
1 |
1 |
85 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
3 |
1 |
2134 |
28.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 13 |
41 |
|
B |
2 |
2 |
2134 |
◊ |
[CA]C:101 |
-x+2,-y+1,z-1/2 |
2_764 |
1 |
1 |
85 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
2 |
2 |
2141 |
◊ |
[CA]D:102 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
85 |
9.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CA]A:103 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
2132 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
2 |
2 |
2136 |
◊ |
[CA]B:104 |
-y+2,x,z+1/4 |
3_755 |
1 |
1 |
85 |
3.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
45 |
|
C |
4 |
1 |
2141 |
◊ |
[CBR]A:7 |
y,x-1,-z+3/4 |
7_545 |
2 |
1 |
440 |
8.9 |
-0.1 |
0.409 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
2 |
1 |
2132 |
◊ |
[CBR]B:16 |
y,x-1,-z+3/4 |
7_545 |
2 |
1 |
439 |
2.3 |
0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
0.0 |
0.417 |
0 |
0 |
0 |
0.000 |
| 15 |
47 |
|
[CBR]C:25 |
1 |
1 |
436 |
◊ |
C |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
2141 |
7.7 |
-0.4 |
0.261 |
0 |
0 |
0 |
0.000 |
48 |
|
[CBR]D:34 |
1 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
2134 |
6.0 |
-0.3 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
-0.4 |
0.267 |
0 |
0 |
0 |
0.000 |
| 16 |
49 |
|
D |
3 |
1 |
2132 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2136 |
7.3 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
2 |
1 |
2136 |
◊ |
B |
-y+2,x,z+1/4 |
3_755 |
2 |
1 |
2134 |
6.0 |
-0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
51 |
|
C |
2 |
1 |
2141 |
◊ |
D |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
2132 |
4.9 |
-0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
1 |
1 |
2134 |
◊ |
C |
-x+2,-y+1,z-1/2 |
2_764 |
1 |
1 |
2141 |
3.2 |
-0.3 |
0.252 |
0 |
0 |
0 |
0.000 |
| Average: |
5.4 |
-0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 17 |
53 |
|
C |
1 |
1 |
2141 |
◊ |
A |
y,x-1,-z+3/4 |
7_545 |
1 |
1 |
2136 |
2.9 |
-0.3 |
0.252 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
1 |
1 |
2132 |
◊ |
B |
y,x-1,-z+3/4 |
7_545 |
1 |
1 |
2134 |
1.6 |
-0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
-0.2 |
0.266 |
0 |
0 |
0 |
0.000 |
|